N-[1-cycloheptyl-2-oxo-2-[[5-(1,2,4-trimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide

C27H34N6O3 — CID 168846669

IUPACN-[1-cycloheptyl-2-oxo-2-[[5-(1,2,4-trimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1cc(=O)n(C)c(C)c1-c1ccc(NC(=O)C(NC(=O)c2ccnn2C)C2CCCCCC2)nc1
InChIInChI=1S/C27H34N6O3/c1-17-15-23(34)32(3)18(2)24(17)20-11-12-22(28-16-20)30-27(36)25(19-9-7-5-6-8-10-19)31-26(35)21-13-14-29-33(21)4/h11-16,19,25H,5-10H2,1-4H3,(H,31,35)(H,28,30,36)
InChIKeyVCRUZXKRPOPKNK-UHFFFAOYSA-N
MW490.61 g/mol
LogP3.51
Rot. Bonds6

About N-[1-cycloheptyl-2-oxo-2-[[5-(1,2,4-trimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide

N-[1-cycloheptyl-2-oxo-2-[[5-(1,2,4-trimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide (PubChem CID 168846669) has the molecular formula C27H34N6O3 and a molecular weight of 490.61 g/mol. Its IUPAC name is N-[1-cycloheptyl-2-oxo-2-[[5-(1,2,4-trimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-cycloheptyl-2-oxo-2-[[5-(1,2,4-trimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide
PubChem CID168846669
Molecular FormulaC27H34N6O3
Molecular Weight490.61 g/mol
Exact Mass490.27
IUPAC NameN-[1-cycloheptyl-2-oxo-2-[[5-(1,2,4-trimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide
SMILESCc1cc(=O)n(C)c(C)c1-c1ccc(NC(=O)C(NC(=O)c2ccnn2C)C2CCCCCC2)nc1
InChIInChI=1S/C27H34N6O3/c1-17-15-23(34)32(3)18(2)24(17)20-11-12-22(28-16-20)30-27(36)25(19-9-7-5-6-8-10-19)31-26(35)21-13-14-29-33(21)4/h11-16,19,25H,5-10H2,1-4H3,(H,31,35)(H,28,30,36)
InChIKeyVCRUZXKRPOPKNK-UHFFFAOYSA-N
XLogP3.51
TPSA110.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.61
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[1-cycloheptyl-2-oxo-2-[[5-(1,2,4-trimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide with MolForge

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Related Compounds

N-[(1S)-1-cycloheptyl-2-[[5-(3-cyclopropyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 162362316
N-[1-cycloheptyl-2-[[5-(3-ethyl-5-methyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 168846617
N-[1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-3-methyltriazole-4-carboxamide
CID 168846703
N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyltriazol-4-yl)-2-pyridinyl]amino]-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362456
N-[(1S)-2-[[5-(1,2-dimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]-1-(4-methylcyclohexyl)-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362491
N-[1-cyclooctyl-2-oxo-2-[(2-oxospiro[1H-pyrrolo[3,2-c]pyridine-3,4'-oxane]-6-yl)amino]ethyl]-2-methylpyrazole-3-carboxamide
CID 142495242
N-[(1S)-2-[[5-(4-chloro-1-methylpyrazol-5-yl)-2-pyridinyl]amino]-1-cycloheptyl-2-oxoethyl]-2-ethylpyrazole-3-carboxamide
CID 162362487
N-[(1S)-1-cycloheptyl-2-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3-fluoro-2-pyridinyl]amino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 162362202
N-[(1S)-1-cyclohexyl-2-[4-(2,5-dimethyl-1-oxidopyridin-1-ium-3-yl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 163275751
N-[1-cycloheptyl-2-[4-(4-methyl-1,2,4-triazol-3-yl)anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 167148835
N-[1-cyclohexyl-2-[4-[3-(1-hydroxyethyl)-5-methyl-1H-pyrazol-4-yl]anilino]-2-oxoethyl]-2-methylpyrazole-3-carboxamide
CID 175152370
tert-butyl N-[(1S)-1-cycloheptyl-2-oxo-2-[[5-(2,4,5-trimethylpyrazol-3-yl)-2-pyridinyl]amino]ethyl]carbamate
CID 167525659

Frequently Asked Questions

What is the IUPAC name of N-[1-cycloheptyl-2-oxo-2-[[5-(1,2,4-trimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide?
The IUPAC name of N-[1-cycloheptyl-2-oxo-2-[[5-(1,2,4-trimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide (CID 168846669) is N-[1-cycloheptyl-2-oxo-2-[[5-(1,2,4-trimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-[1-cycloheptyl-2-oxo-2-[[5-(1,2,4-trimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide?
The canonical SMILES for N-[1-cycloheptyl-2-oxo-2-[[5-(1,2,4-trimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide is Cc1cc(=O)n(C)c(C)c1-c1ccc(NC(=O)C(NC(=O)c2ccnn2C)C2CCCCCC2)nc1.
What is the InChIKey of N-[1-cycloheptyl-2-oxo-2-[[5-(1,2,4-trimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide?
The InChIKey is VCRUZXKRPOPKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N6O3/c1-17-15-23(34)32(3)18(2)24(17)20-11-12-22(28-16-20)30-27(36)25(19-9-7-5-6-8-10-19)31-26(35)21-13-14-29-33(21)4/h11-16,19,25H,5-10H2,1-4H3,(H,31,35)(H,28,30,36).
What are the key properties of N-[1-cycloheptyl-2-oxo-2-[[5-(1,2,4-trimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide?
N-[1-cycloheptyl-2-oxo-2-[[5-(1,2,4-trimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide has a molecular weight of 490.61 g/mol, XLogP of 3.51, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-cycloheptyl-2-oxo-2-[[5-(1,2,4-trimethyl-6-oxo-3-pyridinyl)-2-pyridinyl]amino]ethyl]-2-methylpyrazole-3-carboxamide is sourced from PubChem (CID 168846669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).