2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide

C17H17N3O2 — CID 136541713

IUPAC2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(NC(=O)C2CC2)c1)c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-20(14-5-3-2-4-6-14)17(22)13-9-10-18-15(11-13)19-16(21)12-7-8-12/h2-6,9-12H,7-8H2,1H3,(H,18,19,21)
InChIKeyIEVRYKFRNJACGD-UHFFFAOYSA-N
MW295.34 g/mol
LogP2.71
Rot. Bonds4

About 2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide

2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide (PubChem CID 136541713) has the molecular formula C17H17N3O2 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide
PubChem CID136541713
Molecular FormulaC17H17N3O2
Molecular Weight295.34 g/mol
Exact Mass295.13
IUPAC Name2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide
SMILESCN(C(=O)c1ccnc(NC(=O)C2CC2)c1)c1ccccc1
InChIInChI=1S/C17H17N3O2/c1-20(14-5-3-2-4-6-14)17(22)13-9-10-18-15(11-13)19-16(21)12-7-8-12/h2-6,9-12H,7-8H2,1H3,(H,18,19,21)
InChIKeyIEVRYKFRNJACGD-UHFFFAOYSA-N
XLogP2.71
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(cyclohexanecarbonylamino)-N-methyl-N-phenylbenzamide
CID 17227771
3-(cyclopropanecarbonylamino)-N,4-dimethyl-N-pyridin-3-ylbenzamide
CID 59607052
2-(4-chloro-2,5-dimethoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 109176377
N-methyl-N-phenyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109174859
2-(3-chloro-4-methoxyanilino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 109176346
2-(cyclopropanecarbonylamino)-N-methyl-N-(1-methyl-6-oxopiperidin-3-yl)pyridine-4-carboxamide
CID 154799962
4-(cyclopropanecarbonylcarbamothioylamino)-N-methyl-N-phenylbenzamide
CID 17230398
2-(1,3-benzodioxol-5-ylmethylamino)-N-methyl-N-phenylpyridine-4-carboxamide
CID 109171446
2-(cyclopropanecarbonylamino)-N-quinolin-3-ylpyridine-4-carboxamide
CID 118071036
2-N-methyl-4-N-(4-methylphenyl)-2-N-phenylpyridine-2,4-dicarboxamide
CID 109091261
N-(4-bromo-2-pyridinyl)-4-methylcyclohexane-1-carboxamide
CID 102674384
4-N-methyl-4-N-phenyl-2-N-propylpyridine-2,4-dicarboxamide
CID 109077905

Frequently Asked Questions

What is the IUPAC name of 2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide?
The IUPAC name of 2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide (CID 136541713) is 2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide.
What is the SMILES notation for 2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide?
The canonical SMILES for 2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide is CN(C(=O)c1ccnc(NC(=O)C2CC2)c1)c1ccccc1.
What is the InChIKey of 2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide?
The InChIKey is IEVRYKFRNJACGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2/c1-20(14-5-3-2-4-6-14)17(22)13-9-10-18-15(11-13)19-16(21)12-7-8-12/h2-6,9-12H,7-8H2,1H3,(H,18,19,21).
What are the key properties of 2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide?
2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide has a molecular weight of 295.34 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclopropanecarbonylamino)-N-methyl-N-phenylpyridine-4-carboxamide is sourced from PubChem (CID 136541713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).