N-[4-[4-carbamoyl-3-[(2,6-dimethyl-4-pyridinyl)amino]-1H-pyrazol-5-yl]phenyl]-3-phenylpiperidine-1-carboxamide

C29H31N7O2 — CID 168849923

IUPACN-[4-[4-carbamoyl-3-[(2,6-dimethyl-4-pyridinyl)amino]-1H-pyrazol-5-yl]phenyl]-3-phenylpiperidine-1-carboxamide
SMILESCc1cc(Nc2n[nH]c(-c3ccc(NC(=O)N4CCCC(c5ccccc5)C4)cc3)c2C(N)=O)cc(C)n1
InChIInChI=1S/C29H31N7O2/c1-18-15-24(16-19(2)31-18)32-28-25(27(30)37)26(34-35-28)21-10-12-23(13-11-21)33-29(38)36-14-6-9-22(17-36)20-7-4-3-5-8-20/h3-5,7-8,10-13,15-16,22H,6,9,14,17H2,1-2H3,(H2,30,37)(H,33,38)(H2,31,32,34,35)
InChIKeyVJDCNIUCNYKILN-UHFFFAOYSA-N
MW509.61 g/mol
LogP5.34
Rot. Bonds6

About N-[4-[4-carbamoyl-3-[(2,6-dimethyl-4-pyridinyl)amino]-1H-pyrazol-5-yl]phenyl]-3-phenylpiperidine-1-carboxamide

N-[4-[4-carbamoyl-3-[(2,6-dimethyl-4-pyridinyl)amino]-1H-pyrazol-5-yl]phenyl]-3-phenylpiperidine-1-carboxamide (PubChem CID 168849923) has the molecular formula C29H31N7O2 and a molecular weight of 509.61 g/mol. Its IUPAC name is N-[4-[4-carbamoyl-3-[(2,6-dimethyl-4-pyridinyl)amino]-1H-pyrazol-5-yl]phenyl]-3-phenylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[4-[4-carbamoyl-3-[(2,6-dimethyl-4-pyridinyl)amino]-1H-pyrazol-5-yl]phenyl]-3-phenylpiperidine-1-carboxamide
PubChem CID168849923
Molecular FormulaC29H31N7O2
Molecular Weight509.61 g/mol
Exact Mass509.25
IUPAC NameN-[4-[4-carbamoyl-3-[(2,6-dimethyl-4-pyridinyl)amino]-1H-pyrazol-5-yl]phenyl]-3-phenylpiperidine-1-carboxamide
SMILESCc1cc(Nc2n[nH]c(-c3ccc(NC(=O)N4CCCC(c5ccccc5)C4)cc3)c2C(N)=O)cc(C)n1
InChIInChI=1S/C29H31N7O2/c1-18-15-24(16-19(2)31-18)32-28-25(27(30)37)26(34-35-28)21-10-12-23(13-11-21)33-29(38)36-14-6-9-22(17-36)20-7-4-3-5-8-20/h3-5,7-8,10-13,15-16,22H,6,9,14,17H2,1-2H3,(H2,30,37)(H,33,38)(H2,31,32,34,35)
InChIKeyVJDCNIUCNYKILN-UHFFFAOYSA-N
XLogP5.34
TPSA129.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 55.34
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[(3R)-3-phenylpyrrolidine-1-carbonyl]amino]phenyl]-1H-pyrazole-4-carboxamide
CID 168849988
3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[(2-phenylpyrrolidine-1-carbonyl)amino]phenyl]-1H-pyrazole-4-carboxamide
CID 168849914
3-[(2-methoxy-4-pyridinyl)amino]-5-[4-[[3-(1-methylpyrazol-4-yl)pyrrolidine-1-carbonyl]amino]phenyl]-1H-pyrazole-4-carboxamide
CID 168849984
N-[4-(hydroxymethyl)phenyl]-3-phenylpiperidine-1-carboxamide
CID 166262555
N-(3,4-dimethoxyphenyl)-3-phenylazepane-1-carboxamide
CID 90608592
N-(4-phenylphenyl)-3-(1H-pyrazol-5-yl)piperidine-1-carboxamide
CID 166207366
N-(3,4-dimethylphenyl)-3-phenylpyrrolidine-1-carboxamide
CID 5065354
(3S)-N-(2-methyl-1,3-benzoxazol-5-yl)-3-phenylpyrrolidine-1-carboxamide
CID 124593890
3-phenyl-N-[3-[(3-phenylpyrrolidine-1-carbonyl)amino]phenyl]pyrrolidine-1-carboxamide
CID 5112154
(3R)-N-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]-3-(5-methyl-1H-1,2,4-triazol-3-yl)piperidine-1-carboxamide
CID 97285122
cyclopentyl-[3-[6-methyl-4-[(3-methyl-2-pyridinyl)amino]-2-pyridinyl]piperidin-1-yl]methanone
CID 110264956
N-(4-methylphenyl)-5-[(3R)-1-(phenylcarbamoyl)piperidin-3-yl]-1,3,4-thiadiazole-2-carboxamide
CID 92879518

Frequently Asked Questions

What is the IUPAC name of N-[4-[4-carbamoyl-3-[(2,6-dimethyl-4-pyridinyl)amino]-1H-pyrazol-5-yl]phenyl]-3-phenylpiperidine-1-carboxamide?
The IUPAC name of N-[4-[4-carbamoyl-3-[(2,6-dimethyl-4-pyridinyl)amino]-1H-pyrazol-5-yl]phenyl]-3-phenylpiperidine-1-carboxamide (CID 168849923) is N-[4-[4-carbamoyl-3-[(2,6-dimethyl-4-pyridinyl)amino]-1H-pyrazol-5-yl]phenyl]-3-phenylpiperidine-1-carboxamide.
What is the SMILES notation for N-[4-[4-carbamoyl-3-[(2,6-dimethyl-4-pyridinyl)amino]-1H-pyrazol-5-yl]phenyl]-3-phenylpiperidine-1-carboxamide?
The canonical SMILES for N-[4-[4-carbamoyl-3-[(2,6-dimethyl-4-pyridinyl)amino]-1H-pyrazol-5-yl]phenyl]-3-phenylpiperidine-1-carboxamide is Cc1cc(Nc2n[nH]c(-c3ccc(NC(=O)N4CCCC(c5ccccc5)C4)cc3)c2C(N)=O)cc(C)n1.
What is the InChIKey of N-[4-[4-carbamoyl-3-[(2,6-dimethyl-4-pyridinyl)amino]-1H-pyrazol-5-yl]phenyl]-3-phenylpiperidine-1-carboxamide?
The InChIKey is VJDCNIUCNYKILN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31N7O2/c1-18-15-24(16-19(2)31-18)32-28-25(27(30)37)26(34-35-28)21-10-12-23(13-11-21)33-29(38)36-14-6-9-22(17-36)20-7-4-3-5-8-20/h3-5,7-8,10-13,15-16,22H,6,9,14,17H2,1-2H3,(H2,30,37)(H,33,38)(H2,31,32,34,35).
What are the key properties of N-[4-[4-carbamoyl-3-[(2,6-dimethyl-4-pyridinyl)amino]-1H-pyrazol-5-yl]phenyl]-3-phenylpiperidine-1-carboxamide?
N-[4-[4-carbamoyl-3-[(2,6-dimethyl-4-pyridinyl)amino]-1H-pyrazol-5-yl]phenyl]-3-phenylpiperidine-1-carboxamide has a molecular weight of 509.61 g/mol, XLogP of 5.34, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[4-carbamoyl-3-[(2,6-dimethyl-4-pyridinyl)amino]-1H-pyrazol-5-yl]phenyl]-3-phenylpiperidine-1-carboxamide is sourced from PubChem (CID 168849923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).