N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)methoxy]benzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenylmethoxybenzamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]-methylamino]-4-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide

C128H144FN19O7 — CID 158660269

IUPACN-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)methoxy]benzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenylmethoxybenzamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]-methylamino]-4-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(N3CCN(C)CC3)c2)cc1N(C)c1nccc(-c2ccc(F)cc2)n1.Cc1ccn(-c2cc(CN3CCC(N)C(C)C3)cc(NC(=O)c3ccc(C)c(OCc4ccc(C)nc4)c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(N)C(C)C3)cc(NC(=O)c3ccc(C)c(OCc4ccccc4)c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(N)C(C)C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)c1
InChIInChI=1S/C33H39N5O2.C33H38N4O2.C32H36N4O2.C30H31FN6O/c1-22-9-12-38(18-22)30-14-27(20-37-11-10-31(34)24(3)19-37)13-29(16-30)36-33(39)28-8-5-23(2)32(15-28)40-21-26-7-6-25(4)35-17-26;1-23-11-14-37(19-23)30-16-27(21-36-13-12-31(34)25(3)20-36)15-29(18-30)35-33(38)28-10-9-24(2)32(17-28)39-22-26-7-5-4-6-8-26;1-22-11-14-36(19-22)28-16-25(21-35-13-12-30(33)24(3)20-35)15-27(18-28)34-32(37)26-10-9-23(2)31(17-26)38-29-7-5-4-6-8-29;1-21-7-8-23(29(38)33-25-5-4-6-26(20-25)37-17-15-35(2)16-18-37)19-28(21)36(3)30-32-14-13-27(34-30)22-9-11-24(31)12-10-22/h5-9,12-18,24,31H,10-11,19-21,34H2,1-4H3,(H,36,39);4-11,14-19,25,31H,12-13,20-22,34H2,1-3H3,(H,35,38);4-11,14-19,24,30H,12-13,20-21,33H2,1-3H3,(H,34,37);4-14,19-20H,15-18H2,1-3H3,(H,33,38)
InChIKeyICQYWROVPVMROU-UHFFFAOYSA-N
MW2079.68 g/mol
LogP23.56
Rot. Bonds29

About N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)methoxy]benzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenylmethoxybenzamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]-methylamino]-4-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide

N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)methoxy]benzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenylmethoxybenzamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]-methylamino]-4-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide (PubChem CID 158660269) has the molecular formula C128H144FN19O7 and a molecular weight of 2079.68 g/mol. Its IUPAC name is N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)methoxy]benzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenylmethoxybenzamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]-methylamino]-4-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide.

Molecular Properties

Compound NameN-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)methoxy]benzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenylmethoxybenzamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]-methylamino]-4-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide
PubChem CID158660269
Molecular FormulaC128H144FN19O7
Molecular Weight2079.68 g/mol
Exact Mass2078.15
IUPAC NameN-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)methoxy]benzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenylmethoxybenzamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]-methylamino]-4-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(N3CCN(C)CC3)c2)cc1N(C)c1nccc(-c2ccc(F)cc2)n1.Cc1ccn(-c2cc(CN3CCC(N)C(C)C3)cc(NC(=O)c3ccc(C)c(OCc4ccc(C)nc4)c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(N)C(C)C3)cc(NC(=O)c3ccc(C)c(OCc4ccccc4)c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(N)C(C)C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)c1
InChIInChI=1S/C33H39N5O2.C33H38N4O2.C32H36N4O2.C30H31FN6O/c1-22-9-12-38(18-22)30-14-27(20-37-11-10-31(34)24(3)19-37)13-29(16-30)36-33(39)28-8-5-23(2)32(15-28)40-21-26-7-6-25(4)35-17-26;1-23-11-14-37(19-23)30-16-27(21-36-13-12-31(34)25(3)20-36)15-29(18-30)35-33(38)28-10-9-24(2)32(17-28)39-22-26-7-5-4-6-8-26;1-22-11-14-36(19-22)28-16-25(21-35-13-12-30(33)24(3)20-35)15-27(18-28)34-32(37)26-10-9-23(2)31(17-26)38-29-7-5-4-6-8-29;1-21-7-8-23(29(38)33-25-5-4-6-26(20-25)37-17-15-35(2)16-18-37)19-28(21)36(3)30-32-14-13-27(34-30)22-9-11-24(31)12-10-22/h5-9,12-18,24,31H,10-11,19-21,34H2,1-4H3,(H,36,39);4-11,14-19,25,31H,12-13,20-22,34H2,1-3H3,(H,35,38);4-11,14-19,24,30H,12-13,20-21,33H2,1-3H3,(H,34,37);4-14,19-20H,15-18H2,1-3H3,(H,33,38)
InChIKeyICQYWROVPVMROU-UHFFFAOYSA-N
XLogP23.56
TPSA295.05 Ų
H-Bond Donors7
H-Bond Acceptors22
Rotatable Bonds29
Heavy Atoms155
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002079.68
LogP ≤ 523.56
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1022

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_I(4)', 'substructure': 'N/A'}

Analyze N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)methoxy]benzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenylmethoxybenzamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]-methylamino]-4-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)methoxy]benzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenylmethoxybenzamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]-methylamino]-4-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide?
The IUPAC name of N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)methoxy]benzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenylmethoxybenzamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]-methylamino]-4-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide (CID 158660269) is N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)methoxy]benzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenylmethoxybenzamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]-methylamino]-4-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide.
What is the SMILES notation for N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)methoxy]benzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenylmethoxybenzamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]-methylamino]-4-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide?
The canonical SMILES for N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)methoxy]benzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenylmethoxybenzamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]-methylamino]-4-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(N3CCN(C)CC3)c2)cc1N(C)c1nccc(-c2ccc(F)cc2)n1.Cc1ccn(-c2cc(CN3CCC(N)C(C)C3)cc(NC(=O)c3ccc(C)c(OCc4ccc(C)nc4)c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(N)C(C)C3)cc(NC(=O)c3ccc(C)c(OCc4ccccc4)c3)c2)c1.Cc1ccn(-c2cc(CN3CCC(N)C(C)C3)cc(NC(=O)c3ccc(C)c(Oc4ccccc4)c3)c2)c1.
What is the InChIKey of N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)methoxy]benzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenylmethoxybenzamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]-methylamino]-4-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide?
The InChIKey is ICQYWROVPVMROU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H39N5O2.C33H38N4O2.C32H36N4O2.C30H31FN6O/c1-22-9-12-38(18-22)30-14-27(20-37-11-10-31(34)24(3)19-37)13-29(16-30)36-33(39)28-8-5-23(2)32(15-28)40-21-26-7-6-25(4)35-17-26;1-23-11-14-37(19-23)30-16-27(21-36-13-12-31(34)25(3)20-36)15-29(18-30)35-33(38)28-10-9-24(2)32(17-28)39-22-26-7-5-4-6-8-26;1-22-11-14-36(19-22)28-16-25(21-35-13-12-30(33)24(3)20-35)15-27(18-28)34-32(37)26-10-9-23(2)31(17-26)38-29-7-5-4-6-8-29;1-21-7-8-23(29(38)33-25-5-4-6-26(20-25)37-17-15-35(2)16-18-37)19-28(21)36(3)30-32-14-13-27(34-30)22-9-11-24(31)12-10-22/h5-9,12-18,24,31H,10-11,19-21,34H2,1-4H3,(H,36,39);4-11,14-19,25,31H,12-13,20-22,34H2,1-3H3,(H,35,38);4-11,14-19,24,30H,12-13,20-21,33H2,1-3H3,(H,34,37);4-14,19-20H,15-18H2,1-3H3,(H,33,38).
What are the key properties of N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)methoxy]benzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenylmethoxybenzamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]-methylamino]-4-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide?
N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)methoxy]benzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenylmethoxybenzamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]-methylamino]-4-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide has a molecular weight of 2079.68 g/mol, XLogP of 23.56, 29 rotatable bonds, 7 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-[(6-methyl-3-pyridinyl)methoxy]benzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenoxybenzamide;N-[3-[(4-amino-3-methylpiperidin-1-yl)methyl]-5-(3-methylpyrrol-1-yl)phenyl]-4-methyl-3-phenylmethoxybenzamide;3-[[4-(4-fluorophenyl)pyrimidin-2-yl]-methylamino]-4-methyl-N-[3-(4-methylpiperazin-1-yl)phenyl]benzamide is sourced from PubChem (CID 158660269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).