N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-[methyl(propan-2-yl)amino]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide

C59H64N10O4 — CID 87727297

IUPACN-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-[methyl(propan-2-yl)amino]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1ccc(N(C)C(C)C)nc1.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1ccc(NC(C)C)nc1
InChIInChI=1S/C30H33N5O2.C29H31N5O2/c1-20(2)34(4)28-12-11-26(19-32-28)29(36)33-27-17-25(8-5-21(27)3)30(37)35-15-13-24(14-16-35)23-9-6-22(18-31)7-10-23;1-19(2)32-27-11-10-25(18-31-27)28(35)33-26-16-24(7-4-20(26)3)29(36)34-14-12-23(13-15-34)22-8-5-21(17-30)6-9-22/h5-12,17,19-20,24H,13-16H2,1-4H3,(H,33,36);4-11,16,18-19,23H,12-15H2,1-3H3,(H,31,32)(H,33,35)
InChIKeyZPMDPARDZTXPDD-UHFFFAOYSA-N
MW977.23 g/mol
LogP10.73
Rot. Bonds12

About N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-[methyl(propan-2-yl)amino]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide

N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-[methyl(propan-2-yl)amino]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide (PubChem CID 87727297) has the molecular formula C59H64N10O4 and a molecular weight of 977.23 g/mol. Its IUPAC name is N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-[methyl(propan-2-yl)amino]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-[methyl(propan-2-yl)amino]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
PubChem CID87727297
Molecular FormulaC59H64N10O4
Molecular Weight977.23 g/mol
Exact Mass976.51
IUPAC NameN-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-[methyl(propan-2-yl)amino]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1ccc(N(C)C(C)C)nc1.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1ccc(NC(C)C)nc1
InChIInChI=1S/C30H33N5O2.C29H31N5O2/c1-20(2)34(4)28-12-11-26(19-32-28)29(36)33-27-17-25(8-5-21(27)3)30(37)35-15-13-24(14-16-35)23-9-6-22(18-31)7-10-23;1-19(2)32-27-11-10-25(18-31-27)28(35)33-26-16-24(7-4-20(26)3)29(36)34-14-12-23(13-15-34)22-8-5-21(17-30)6-9-22/h5-12,17,19-20,24H,13-16H2,1-4H3,(H,33,36);4-11,16,18-19,23H,12-15H2,1-3H3,(H,31,32)(H,33,35)
InChIKeyZPMDPARDZTXPDD-UHFFFAOYSA-N
XLogP10.73
TPSA187.45 Ų
H-Bond Donors3
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms73
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500977.23
LogP ≤ 510.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1010

Analyze N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-[methyl(propan-2-yl)amino]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-[methyl(propan-2-yl)amino]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-[methyl(propan-2-yl)amino]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide (CID 87727297) is N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-[methyl(propan-2-yl)amino]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-[methyl(propan-2-yl)amino]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-[methyl(propan-2-yl)amino]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide is Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1ccc(N(C)C(C)C)nc1.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1ccc(NC(C)C)nc1.
What is the InChIKey of N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-[methyl(propan-2-yl)amino]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
The InChIKey is ZPMDPARDZTXPDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N5O2.C29H31N5O2/c1-20(2)34(4)28-12-11-26(19-32-28)29(36)33-27-17-25(8-5-21(27)3)30(37)35-15-13-24(14-16-35)23-9-6-22(18-31)7-10-23;1-19(2)32-27-11-10-25(18-31-27)28(35)33-26-16-24(7-4-20(26)3)29(36)34-14-12-23(13-15-34)22-8-5-21(17-30)6-9-22/h5-12,17,19-20,24H,13-16H2,1-4H3,(H,33,36);4-11,16,18-19,23H,12-15H2,1-3H3,(H,31,32)(H,33,35).
What are the key properties of N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-[methyl(propan-2-yl)amino]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide?
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-[methyl(propan-2-yl)amino]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide has a molecular weight of 977.23 g/mol, XLogP of 10.73, 12 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-[methyl(propan-2-yl)amino]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(propan-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 87727297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).