N-[(4-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide;N-(2-methylpropyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide

C80H97Cl2N11O3 — CID 158374131

IUPACN-[(4-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide;N-(2-methylpropyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide
SMILESCC(C)CNC(=O)c1cn(CCCNCC(C)c2ccccc2)c2ccccc12.CN(CCCn1cc(C(=O)NCc2ccc(Cl)cc2)c2ccccc21)CCc1ccccn1.O=C(NCc1ccc(Cl)cc1)c1cn(CCCN2CCC(N3CCCC3)CC2)c2ccccc12
InChIInChI=1S/C28H35ClN4O.C27H29ClN4O.C25H33N3O/c29-23-10-8-22(9-11-23)20-30-28(34)26-21-33(27-7-2-1-6-25(26)27)17-5-14-31-18-12-24(13-19-31)32-15-3-4-16-32;1-31(18-14-23-7-4-5-15-29-23)16-6-17-32-20-25(24-8-2-3-9-26(24)32)27(33)30-19-21-10-12-22(28)13-11-21;1-19(2)16-27-25(29)23-18-28(24-13-8-7-12-22(23)24)15-9-14-26-17-20(3)21-10-5-4-6-11-21/h1-2,6-11,21,24H,3-5,12-20H2,(H,30,34);2-5,7-13,15,20H,6,14,16-19H2,1H3,(H,30,33);4-8,10-13,18-20,26H,9,14-17H2,1-3H3,(H,27,29)
InChIKeyGUZGSORSESMYOA-UHFFFAOYSA-N
MW1331.64 g/mol
LogP15.17
Rot. Bonds28

About N-[(4-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide;N-(2-methylpropyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide

N-[(4-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide;N-(2-methylpropyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide (PubChem CID 158374131) has the molecular formula C80H97Cl2N11O3 and a molecular weight of 1331.64 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide;N-(2-methylpropyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide;N-(2-methylpropyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide
PubChem CID158374131
Molecular FormulaC80H97Cl2N11O3
Molecular Weight1331.64 g/mol
Exact Mass1329.72
IUPAC NameN-[(4-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide;N-(2-methylpropyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide
SMILESCC(C)CNC(=O)c1cn(CCCNCC(C)c2ccccc2)c2ccccc12.CN(CCCn1cc(C(=O)NCc2ccc(Cl)cc2)c2ccccc21)CCc1ccccn1.O=C(NCc1ccc(Cl)cc1)c1cn(CCCN2CCC(N3CCCC3)CC2)c2ccccc12
InChIInChI=1S/C28H35ClN4O.C27H29ClN4O.C25H33N3O/c29-23-10-8-22(9-11-23)20-30-28(34)26-21-33(27-7-2-1-6-25(26)27)17-5-14-31-18-12-24(13-19-31)32-15-3-4-16-32;1-31(18-14-23-7-4-5-15-29-23)16-6-17-32-20-25(24-8-2-3-9-26(24)32)27(33)30-19-21-10-12-22(28)13-11-21;1-19(2)16-27-25(29)23-18-28(24-13-8-7-12-22(23)24)15-9-14-26-17-20(3)21-10-5-4-6-11-21/h1-2,6-11,21,24H,3-5,12-20H2,(H,30,34);2-5,7-13,15,20H,6,14,16-19H2,1H3,(H,30,33);4-8,10-13,18-20,26H,9,14-17H2,1-3H3,(H,27,29)
InChIKeyGUZGSORSESMYOA-UHFFFAOYSA-N
XLogP15.17
TPSA136.73 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds28
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001331.64
LogP ≤ 515.17
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[(4-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide;N-(2-methylpropyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide;N-(2-methylpropyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide;N-(2-methylpropyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide (CID 158374131) is N-[(4-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide;N-(2-methylpropyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide;N-(2-methylpropyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide;N-(2-methylpropyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide is CC(C)CNC(=O)c1cn(CCCNCC(C)c2ccccc2)c2ccccc12.CN(CCCn1cc(C(=O)NCc2ccc(Cl)cc2)c2ccccc21)CCc1ccccn1.O=C(NCc1ccc(Cl)cc1)c1cn(CCCN2CCC(N3CCCC3)CC2)c2ccccc12.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide;N-(2-methylpropyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide?
The InChIKey is GUZGSORSESMYOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H35ClN4O.C27H29ClN4O.C25H33N3O/c29-23-10-8-22(9-11-23)20-30-28(34)26-21-33(27-7-2-1-6-25(26)27)17-5-14-31-18-12-24(13-19-31)32-15-3-4-16-32;1-31(18-14-23-7-4-5-15-29-23)16-6-17-32-20-25(24-8-2-3-9-26(24)32)27(33)30-19-21-10-12-22(28)13-11-21;1-19(2)16-27-25(29)23-18-28(24-13-8-7-12-22(23)24)15-9-14-26-17-20(3)21-10-5-4-6-11-21/h1-2,6-11,21,24H,3-5,12-20H2,(H,30,34);2-5,7-13,15,20H,6,14,16-19H2,1H3,(H,30,33);4-8,10-13,18-20,26H,9,14-17H2,1-3H3,(H,27,29).
What are the key properties of N-[(4-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide;N-(2-methylpropyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide?
N-[(4-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide;N-(2-methylpropyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide has a molecular weight of 1331.64 g/mol, XLogP of 15.17, 28 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-[3-[methyl(2-pyridin-2-ylethyl)amino]propyl]indole-3-carboxamide;N-[(4-chlorophenyl)methyl]-1-[3-(4-pyrrolidin-1-ylpiperidin-1-yl)propyl]indole-3-carboxamide;N-(2-methylpropyl)-1-[3-(2-phenylpropylamino)propyl]indole-3-carboxamide is sourced from PubChem (CID 158374131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).