N-[4-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide

C30H31N5O3 — CID 171683368

IUPACN-[4-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESCOc1c(C)cc(C(=O)N2CCC(c3ccc(NC(=O)c4cnn(-c5cccnc5)c4)cc3)CC2)cc1C
InChIInChI=1S/C30H31N5O3/c1-20-15-24(16-21(2)28(20)38-3)30(37)34-13-10-23(11-14-34)22-6-8-26(9-7-22)33-29(36)25-17-32-35(19-25)27-5-4-12-31-18-27/h4-9,12,15-19,23H,10-11,13-14H2,1-3H3,(H,33,36)
InChIKeyLZPQULCIPYNUHR-UHFFFAOYSA-N
MW509.61 g/mol
LogP5.16
Rot. Bonds6

About N-[4-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide

N-[4-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide (PubChem CID 171683368) has the molecular formula C30H31N5O3 and a molecular weight of 509.61 g/mol. Its IUPAC name is N-[4-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide
PubChem CID171683368
Molecular FormulaC30H31N5O3
Molecular Weight509.61 g/mol
Exact Mass509.24
IUPAC NameN-[4-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide
SMILESCOc1c(C)cc(C(=O)N2CCC(c3ccc(NC(=O)c4cnn(-c5cccnc5)c4)cc3)CC2)cc1C
InChIInChI=1S/C30H31N5O3/c1-20-15-24(16-21(2)28(20)38-3)30(37)34-13-10-23(11-14-34)22-6-8-26(9-7-22)33-29(36)25-17-32-35(19-25)27-5-4-12-31-18-27/h4-9,12,15-19,23H,10-11,13-14H2,1-3H3,(H,33,36)
InChIKeyLZPQULCIPYNUHR-UHFFFAOYSA-N
XLogP5.16
TPSA89.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.61
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[1-(3,5-dimethoxy-4-methylbenzoyl)piperidin-4-yl]phenyl]-4-methylpyrazolo[1,5-a]pyridine-3-carboxamide
CID 171684341
3,5-dimethyl-4-(pyridin-3-ylmethoxy)-N-[4-(pyrrolidine-1-carbonyl)phenyl]benzamide
CID 55699320
4-(cyclopropylmethoxy)-N-[4-[1-(5-fluoro-6-methoxypyridine-3-carbonyl)piperidin-4-yl]phenyl]benzamide
CID 171684282
4-chloro-N-[4-[1-(3,5-dimethoxy-4-methylbenzoyl)piperidin-4-yl]phenyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 171685466
N-cyclopropylsulfonyl-1-pyridin-3-ylpyrazole-4-carboxamide
CID 53483031
(4-pyridin-3-yloxypiperidin-1-yl)-(3,4,5-trimethoxyphenyl)methanone
CID 90565963
N-[4-[1-(5-methyl-1H-pyrrole-3-carbonyl)piperidin-4-yl]phenyl]-1-phenyl-5-(trifluoromethyl)pyrazole-4-carboxamide
CID 171681203
N-(1,3-dioxolan-2-ylmethyl)-1-pyridin-3-ylpyrazole-4-carboxamide
CID 58270531
N-dimethylsulfinamoyl-1-pyridin-3-ylpyrazole-4-carboxamide
CID 130392037
N-(4-methoxyphenyl)-1-(pyridine-3-carbonyl)piperidine-4-carboxamide
CID 113007512
N-[4-[1-[4-(1,3-dioxoisoindol-2-yl)benzoyl]piperidin-4-yl]phenyl]-1-methylindazole-5-carboxamide
CID 171698643
ethyl 4-[[4-[1-(quinazoline-6-carbonyl)piperidin-4-yl]phenyl]carbamoyl]benzoate
CID 171684166

Frequently Asked Questions

What is the IUPAC name of N-[4-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide?
The IUPAC name of N-[4-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide (CID 171683368) is N-[4-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide.
What is the SMILES notation for N-[4-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide?
The canonical SMILES for N-[4-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide is COc1c(C)cc(C(=O)N2CCC(c3ccc(NC(=O)c4cnn(-c5cccnc5)c4)cc3)CC2)cc1C.
What is the InChIKey of N-[4-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide?
The InChIKey is LZPQULCIPYNUHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N5O3/c1-20-15-24(16-21(2)28(20)38-3)30(37)34-13-10-23(11-14-34)22-6-8-26(9-7-22)33-29(36)25-17-32-35(19-25)27-5-4-12-31-18-27/h4-9,12,15-19,23H,10-11,13-14H2,1-3H3,(H,33,36).
What are the key properties of N-[4-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide?
N-[4-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide has a molecular weight of 509.61 g/mol, XLogP of 5.16, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[1-(4-methoxy-3,5-dimethylbenzoyl)piperidin-4-yl]phenyl]-1-pyridin-3-ylpyrazole-4-carboxamide is sourced from PubChem (CID 171683368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).