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

C56H51N9O4 — CID 158671350

IUPAC6-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]quinoline-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1ccc(N)nc1.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C30H26N4O2.C26H25N5O2/c1-20-6-9-25(17-28(20)33-29(35)26-16-24-4-2-3-5-27(24)32-19-26)30(36)34-14-12-23(13-15-34)22-10-7-21(18-31)8-11-22;1-17-2-5-21(14-23(17)30-25(32)22-8-9-24(28)29-16-22)26(33)31-12-10-20(11-13-31)19-6-3-18(15-27)4-7-19/h2-11,16-17,19,23H,12-15H2,1H3,(H,33,35);2-9,14,16,20H,10-13H2,1H3,(H2,28,29)(H,30,32)
InChIKeyIDZKQHIITRUMIM-UHFFFAOYSA-N
MW914.08 g/mol
LogP9.80
Rot. Bonds8

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

6-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]quinoline-3-carboxamide (PubChem CID 158671350) has the molecular formula C56H51N9O4 and a molecular weight of 914.08 g/mol. Its IUPAC name is 6-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]quinoline-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]quinoline-3-carboxamide
PubChem CID158671350
Molecular FormulaC56H51N9O4
Molecular Weight914.08 g/mol
Exact Mass913.41
IUPAC Name6-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]quinoline-3-carboxamide
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1ccc(N)nc1.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C30H26N4O2.C26H25N5O2/c1-20-6-9-25(17-28(20)33-29(35)26-16-24-4-2-3-5-27(24)32-19-26)30(36)34-14-12-23(13-15-34)22-10-7-21(18-31)8-11-22;1-17-2-5-21(14-23(17)30-25(32)22-8-9-24(28)29-16-22)26(33)31-12-10-20(11-13-31)19-6-3-18(15-27)4-7-19/h2-11,16-17,19,23H,12-15H2,1H3,(H,33,35);2-9,14,16,20H,10-13H2,1H3,(H2,28,29)(H,30,32)
InChIKeyIDZKQHIITRUMIM-UHFFFAOYSA-N
XLogP9.80
TPSA198.20 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms69
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500914.08
LogP ≤ 59.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Related Compounds

5-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-2,5-dicarboxamide
CID 69165329
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]quinoline-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-(1,2,4-triazol-1-yl)pyridine-4-carboxamide
CID 87727869
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-piperazin-1-ylpyridine-3-carboxamide
CID 69188440
N-[5-[4-(4-cyanophenyl)azepane-1-carbonyl]-2-methylphenyl]-6-(2-methylpropyl)pyridine-3-carboxamide
CID 148998504
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide
CID 69166223
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-(3-oxopiperazin-1-yl)pyridine-3-carboxamide
CID 69166817
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyrimidine-4-carboxamide
CID 25107444
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-2-(2-hydroxyethylamino)pyridine-4-carboxamide
CID 69168018
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide
CID 25107001
1-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]-3-prop-2-ynylurea
CID 25133081
N-butan-2-yl-6-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylanilino]pyridine-3-carboxamide
CID 126514803
N-[5-[4-(4-aminophenyl)piperidine-1-carbonyl]-2-methylphenyl]-6-propan-2-yloxypyridine-3-carboxamide
CID 89272958

Frequently Asked Questions

What is the IUPAC name of 6-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]quinoline-3-carboxamide?
The IUPAC name of 6-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]quinoline-3-carboxamide (CID 158671350) is 6-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]quinoline-3-carboxamide.
What is the SMILES notation for 6-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]quinoline-3-carboxamide?
The canonical SMILES for 6-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]quinoline-3-carboxamide is Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1ccc(N)nc1.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1cnc2ccccc2c1.
What is the InChIKey of 6-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]quinoline-3-carboxamide?
The InChIKey is IDZKQHIITRUMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O2.C26H25N5O2/c1-20-6-9-25(17-28(20)33-29(35)26-16-24-4-2-3-5-27(24)32-19-26)30(36)34-14-12-23(13-15-34)22-10-7-21(18-31)8-11-22;1-17-2-5-21(14-23(17)30-25(32)22-8-9-24(28)29-16-22)26(33)31-12-10-20(11-13-31)19-6-3-18(15-27)4-7-19/h2-11,16-17,19,23H,12-15H2,1H3,(H,33,35);2-9,14,16,20H,10-13H2,1H3,(H2,28,29)(H,30,32).
What are the key properties of 6-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]quinoline-3-carboxamide?
6-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]quinoline-3-carboxamide has a molecular weight of 914.08 g/mol, XLogP of 9.80, 8 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]pyridine-3-carboxamide;N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]quinoline-3-carboxamide is sourced from PubChem (CID 158671350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).