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

C58H51N11O4 — CID 87727869

IUPACN-[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
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1ccnc(-n2cncn2)c1.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C30H26N4O2.C28H25N7O2/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;1-19-2-5-24(28(37)34-12-9-22(10-13-34)21-6-3-20(16-29)4-7-21)14-25(19)33-27(36)23-8-11-31-26(15-23)35-18-30-17-32-35/h2-11,16-17,19,23H,12-15H2,1H3,(H,33,35);2-8,11,14-15,17-18,22H,9-10,12-13H2,1H3,(H,33,36)
InChIKeyYGUSVAOANVBIIF-UHFFFAOYSA-N
MW966.12 g/mol
LogP9.80
Rot. Bonds9

About 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

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 (PubChem CID 87727869) has the molecular formula C58H51N11O4 and a molecular weight of 966.12 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-[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
PubChem CID87727869
Molecular FormulaC58H51N11O4
Molecular Weight966.12 g/mol
Exact Mass965.41
IUPAC NameN-[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
SMILESCc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1ccnc(-n2cncn2)c1.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1cnc2ccccc2c1
InChIInChI=1S/C30H26N4O2.C28H25N7O2/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;1-19-2-5-24(28(37)34-12-9-22(10-13-34)21-6-3-20(16-29)4-7-21)14-25(19)33-27(36)23-8-11-31-26(15-23)35-18-30-17-32-35/h2-11,16-17,19,23H,12-15H2,1H3,(H,33,35);2-8,11,14-15,17-18,22H,9-10,12-13H2,1H3,(H,33,36)
InChIKeyYGUSVAOANVBIIF-UHFFFAOYSA-N
XLogP9.80
TPSA202.89 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms73
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500966.12
LogP ≤ 59.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze 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 with MolForge

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Related Compounds

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
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
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]-6-piperazin-1-ylpyridine-3-carboxamide
CID 69188440
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]-6-[2-hydroxyethyl(methyl)amino]pyridine-3-carboxamide
CID 69166223
N-[5-[4-(4-cyanophenyl)azepane-1-carbonyl]-2-methylphenyl]-6-(2-methylpropyl)pyridine-3-carboxamide
CID 148998504
4-[1-[3-(1H-imidazo[4,5-b]pyridin-2-ylamino)-4-methylbenzoyl]piperidin-4-yl]benzonitrile
CID 70872451
N-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]cyclopentanecarboxamide
CID 25107001
N-butan-2-yl-6-[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylanilino]pyridine-3-carboxamide
CID 126514803
2-[[5-[4-(4-cyanophenyl)piperidine-1-carbonyl]-2-methylphenyl]carbamoylamino]acetic acid
CID 68950872

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1ccnc(-n2cncn2)c1.Cc1ccc(C(=O)N2CCC(c3ccc(C#N)cc3)CC2)cc1NC(=O)c1cnc2ccccc2c1.
What is the InChIKey of 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?
The InChIKey is YGUSVAOANVBIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H26N4O2.C28H25N7O2/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;1-19-2-5-24(28(37)34-12-9-22(10-13-34)21-6-3-20(16-29)4-7-21)14-25(19)33-27(36)23-8-11-31-26(15-23)35-18-30-17-32-35/h2-11,16-17,19,23H,12-15H2,1H3,(H,33,35);2-8,11,14-15,17-18,22H,9-10,12-13H2,1H3,(H,33,36).
What are the key properties of 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?
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 has a molecular weight of 966.12 g/mol, XLogP of 9.80, 9 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 87727869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).