6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxamide

C100H125N15O11 — CID 87727368

IUPAC6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxamide
SMILESCOCCN1CCN(c2ccc(C(=O)Nc3cc(C(=O)N4CCC(c5ccc(OC)cc5)CC4)ccc3C)cn2)CC1.COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccc(NCCCN5CCCCC5)nc4)c3)CC2)cc1.COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccc(NCCCN5CCOCC5)nc4)c3)CC2)cc1
InChIInChI=1S/C34H43N5O3.2C33H41N5O4/c1-25-7-8-28(34(41)39-21-15-27(16-22-39)26-9-12-30(42-2)13-10-26)23-31(25)37-33(40)29-11-14-32(36-24-29)35-17-6-20-38-18-4-3-5-19-38;1-24-4-5-27(33(40)38-14-12-26(13-15-38)25-6-9-29(42-3)10-7-25)22-30(24)35-32(39)28-8-11-31(34-23-28)37-18-16-36(17-19-37)20-21-41-2;1-24-4-5-27(33(40)38-16-12-26(13-17-38)25-6-9-29(41-2)10-7-25)22-30(24)36-32(39)28-8-11-31(35-23-28)34-14-3-15-37-18-20-42-21-19-37/h7-14,23-24,27H,3-6,15-22H2,1-2H3,(H,35,36)(H,37,40);4-11,22-23,26H,12-21H2,1-3H3,(H,35,39);4-11,22-23,26H,3,12-21H2,1-2H3,(H,34,35)(H,36,39)
InChIKeyFLCSLMVMMLLORJ-UHFFFAOYSA-N
MW1713.19 g/mol
LogP15.20
Rot. Bonds29

About 6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxamide

6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxamide (PubChem CID 87727368) has the molecular formula C100H125N15O11 and a molecular weight of 1713.19 g/mol. Its IUPAC name is 6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxamide
PubChem CID87727368
Molecular FormulaC100H125N15O11
Molecular Weight1713.19 g/mol
Exact Mass1711.97
IUPAC Name6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxamide
SMILESCOCCN1CCN(c2ccc(C(=O)Nc3cc(C(=O)N4CCC(c5ccc(OC)cc5)CC4)ccc3C)cn2)CC1.COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccc(NCCCN5CCCCC5)nc4)c3)CC2)cc1.COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccc(NCCCN5CCOCC5)nc4)c3)CC2)cc1
InChIInChI=1S/C34H43N5O3.2C33H41N5O4/c1-25-7-8-28(34(41)39-21-15-27(16-22-39)26-9-12-30(42-2)13-10-26)23-31(25)37-33(40)29-11-14-32(36-24-29)35-17-6-20-38-18-4-3-5-19-38;1-24-4-5-27(33(40)38-14-12-26(13-15-38)25-6-9-29(42-3)10-7-25)22-30(24)35-32(39)28-8-11-31(34-23-28)37-18-16-36(17-19-37)20-21-41-2;1-24-4-5-27(33(40)38-16-12-26(13-17-38)25-6-9-29(41-2)10-7-25)22-30(24)36-32(39)28-8-11-31(35-23-28)34-14-3-15-37-18-20-42-21-19-37/h7-14,23-24,27H,3-6,15-22H2,1-2H3,(H,35,36)(H,37,40);4-11,22-23,26H,12-21H2,1-3H3,(H,35,39);4-11,22-23,26H,3,12-21H2,1-2H3,(H,34,35)(H,36,39)
InChIKeyFLCSLMVMMLLORJ-UHFFFAOYSA-N
XLogP15.20
TPSA270.07 Ų
H-Bond Donors5
H-Bond Acceptors20
Rotatable Bonds29
Heavy Atoms126
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001713.19
LogP ≤ 515.20
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1020

Computed Properties (RDKit)

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

Analyze 6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxamide (CID 87727368) is 6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxamide is COCCN1CCN(c2ccc(C(=O)Nc3cc(C(=O)N4CCC(c5ccc(OC)cc5)CC4)ccc3C)cn2)CC1.COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccc(NCCCN5CCCCC5)nc4)c3)CC2)cc1.COc1ccc(C2CCN(C(=O)c3ccc(C)c(NC(=O)c4ccc(NCCCN5CCOCC5)nc4)c3)CC2)cc1.
What is the InChIKey of 6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxamide?
The InChIKey is FLCSLMVMMLLORJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H43N5O3.2C33H41N5O4/c1-25-7-8-28(34(41)39-21-15-27(16-22-39)26-9-12-30(42-2)13-10-26)23-31(25)37-33(40)29-11-14-32(36-24-29)35-17-6-20-38-18-4-3-5-19-38;1-24-4-5-27(33(40)38-14-12-26(13-15-38)25-6-9-29(42-3)10-7-25)22-30(24)35-32(39)28-8-11-31(34-23-28)37-18-16-36(17-19-37)20-21-41-2;1-24-4-5-27(33(40)38-16-12-26(13-17-38)25-6-9-29(41-2)10-7-25)22-30(24)36-32(39)28-8-11-31(35-23-28)34-14-3-15-37-18-20-42-21-19-37/h7-14,23-24,27H,3-6,15-22H2,1-2H3,(H,35,36)(H,37,40);4-11,22-23,26H,12-21H2,1-3H3,(H,35,39);4-11,22-23,26H,3,12-21H2,1-2H3,(H,34,35)(H,36,39).
What are the key properties of 6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxamide?
6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxamide has a molecular weight of 1713.19 g/mol, XLogP of 15.20, 29 rotatable bonds, 5 hydrogen bond donors, and 20 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(2-methoxyethyl)piperazin-1-yl]-N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-morpholin-4-ylpropylamino)pyridine-3-carboxamide;N-[5-[4-(4-methoxyphenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-piperidin-1-ylpropylamino)pyridine-3-carboxamide is sourced from PubChem (CID 87727368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).