5-(cyclopropanecarbonyl)-2-cyclopropyl-6-oxo-N,1-diphenylpyridine-3-carboxamide

C25H22N2O3 — CID 162715933

IUPAC5-(cyclopropanecarbonyl)-2-cyclopropyl-6-oxo-N,1-diphenylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(C(=O)C2CC2)c(=O)n(-c2ccccc2)c1C1CC1
InChIInChI=1S/C25H22N2O3/c28-23(17-13-14-17)21-15-20(24(29)26-18-7-3-1-4-8-18)22(16-11-12-16)27(25(21)30)19-9-5-2-6-10-19/h1-10,15-17H,11-14H2,(H,26,29)
InChIKeyBMHAKKUVYCMJFD-UHFFFAOYSA-N
MW398.46 g/mol
LogP4.56
Rot. Bonds6

About 5-(cyclopropanecarbonyl)-2-cyclopropyl-6-oxo-N,1-diphenylpyridine-3-carboxamide

5-(cyclopropanecarbonyl)-2-cyclopropyl-6-oxo-N,1-diphenylpyridine-3-carboxamide (PubChem CID 162715933) has the molecular formula C25H22N2O3 and a molecular weight of 398.46 g/mol. Its IUPAC name is 5-(cyclopropanecarbonyl)-2-cyclopropyl-6-oxo-N,1-diphenylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-(cyclopropanecarbonyl)-2-cyclopropyl-6-oxo-N,1-diphenylpyridine-3-carboxamide
PubChem CID162715933
Molecular FormulaC25H22N2O3
Molecular Weight398.46 g/mol
Exact Mass398.16
IUPAC Name5-(cyclopropanecarbonyl)-2-cyclopropyl-6-oxo-N,1-diphenylpyridine-3-carboxamide
SMILESO=C(Nc1ccccc1)c1cc(C(=O)C2CC2)c(=O)n(-c2ccccc2)c1C1CC1
InChIInChI=1S/C25H22N2O3/c28-23(17-13-14-17)21-15-20(24(29)26-18-7-3-1-4-8-18)22(16-11-12-16)27(25(21)30)19-9-5-2-6-10-19/h1-10,15-17H,11-14H2,(H,26,29)
InChIKeyBMHAKKUVYCMJFD-UHFFFAOYSA-N
XLogP4.56
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.46
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 2054310
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CID 46838293
N-(3-acetamidophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 4098818
N-(4-ethylphenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 3473028
N-(3,4-dichlorophenyl)-2,4-dioxo-3-phenyl-1H-pyrimidine-5-carboxamide
CID 16815209
2,4-dioxo-3-phenyl-N-(4-propan-2-ylphenyl)-1H-pyrimidine-5-carboxamide
CID 3473471
1-(3-methylphenyl)-N-phenyl-5-piperidin-4-ylpyrazole-4-carboxamide;hydrochloride
CID 146053191
N-(4-anilinophenyl)-2-(cyclopropanecarbonylamino)benzamide
CID 4942014
N-[4-chloro-3-(cyclopropylcarbamoyl)phenyl]-5-cyclopropyl-1-phenylpyrazole-4-carboxamide
CID 112846073
N-[4-(cyclopropanecarbonylamino)phenyl]-2-cyclopropylquinoline-4-carboxamide
CID 30456130
5-(2,4-dichlorophenyl)-2-methyl-N,1-diphenylpyrrole-3-carboxamide
CID 10093631

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropanecarbonyl)-2-cyclopropyl-6-oxo-N,1-diphenylpyridine-3-carboxamide?
The IUPAC name of 5-(cyclopropanecarbonyl)-2-cyclopropyl-6-oxo-N,1-diphenylpyridine-3-carboxamide (CID 162715933) is 5-(cyclopropanecarbonyl)-2-cyclopropyl-6-oxo-N,1-diphenylpyridine-3-carboxamide.
What is the SMILES notation for 5-(cyclopropanecarbonyl)-2-cyclopropyl-6-oxo-N,1-diphenylpyridine-3-carboxamide?
The canonical SMILES for 5-(cyclopropanecarbonyl)-2-cyclopropyl-6-oxo-N,1-diphenylpyridine-3-carboxamide is O=C(Nc1ccccc1)c1cc(C(=O)C2CC2)c(=O)n(-c2ccccc2)c1C1CC1.
What is the InChIKey of 5-(cyclopropanecarbonyl)-2-cyclopropyl-6-oxo-N,1-diphenylpyridine-3-carboxamide?
The InChIKey is BMHAKKUVYCMJFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O3/c28-23(17-13-14-17)21-15-20(24(29)26-18-7-3-1-4-8-18)22(16-11-12-16)27(25(21)30)19-9-5-2-6-10-19/h1-10,15-17H,11-14H2,(H,26,29).
What are the key properties of 5-(cyclopropanecarbonyl)-2-cyclopropyl-6-oxo-N,1-diphenylpyridine-3-carboxamide?
5-(cyclopropanecarbonyl)-2-cyclopropyl-6-oxo-N,1-diphenylpyridine-3-carboxamide has a molecular weight of 398.46 g/mol, XLogP of 4.56, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropanecarbonyl)-2-cyclopropyl-6-oxo-N,1-diphenylpyridine-3-carboxamide is sourced from PubChem (CID 162715933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).