3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(4-oxo-1H-pyridin-3-yl)benzamide

C17H17N3O3 — CID 94151705

IUPAC3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(4-oxo-1H-pyridin-3-yl)benzamide
SMILESC[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2c[nH]ccc2=O)c1
InChIInChI=1S/C17H17N3O3/c1-10-7-13(10)17(23)19-12-4-2-3-11(8-12)16(22)20-14-9-18-6-5-15(14)21/h2-6,8-10,13H,7H2,1H3,(H,18,21)(H,19,23)(H,20,22)/t10-,13-/m0/s1
InChIKeyIBSXNWKUDLJBFL-GWCFXTLKSA-N
MW311.34 g/mol
LogP2.22
Rot. Bonds4

About 3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(4-oxo-1H-pyridin-3-yl)benzamide

3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(4-oxo-1H-pyridin-3-yl)benzamide (PubChem CID 94151705) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(4-oxo-1H-pyridin-3-yl)benzamide.

Molecular Properties

Compound Name3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(4-oxo-1H-pyridin-3-yl)benzamide
PubChem CID94151705
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(4-oxo-1H-pyridin-3-yl)benzamide
SMILESC[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2c[nH]ccc2=O)c1
InChIInChI=1S/C17H17N3O3/c1-10-7-13(10)17(23)19-12-4-2-3-11(8-12)16(22)20-14-9-18-6-5-15(14)21/h2-6,8-10,13H,7H2,1H3,(H,18,21)(H,19,23)(H,20,22)/t10-,13-/m0/s1
InChIKeyIBSXNWKUDLJBFL-GWCFXTLKSA-N
XLogP2.22
TPSA91.06 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 52.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-fluorophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39889326
trans-(1R,2R)-N-(3-acetylphenyl)-2-methylcyclopropane-1-carboxamide
CID 2111342
N-(2,4-difluorophenyl)-3-[[(1S,2R)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 38764784
N-(2-cyanophenyl)-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 95568631
N-(5-benzamido-2-methylphenyl)-3-[[(1R,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 52523750
3-[(2-methylcyclopropanecarbonyl)amino]-N-[2-(4-methylpiperazin-1-yl)phenyl]benzamide
CID 55669195
dimethyl 5-[[3-[(2-methylcyclopropanecarbonyl)amino]benzoyl]amino]benzene-1,3-dicarboxylate
CID 55667093
N-[3-chloro-2-(dimethylamino)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 55763063
N-[3-(methanesulfonamido)phenyl]-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 42959478
N-(6-amino-1,3-benzodioxol-5-yl)-3-[(2-methylcyclopropanecarbonyl)amino]benzamide
CID 119618699
N-[3-[[(3-chlorobenzoyl)amino]carbamoyl]phenyl]-2-methylcyclopropane-1-carboxamide
CID 46450403
N-cyclooctyl-3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]benzamide
CID 39896916

Frequently Asked Questions

What is the IUPAC name of 3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(4-oxo-1H-pyridin-3-yl)benzamide?
The IUPAC name of 3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(4-oxo-1H-pyridin-3-yl)benzamide (CID 94151705) is 3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(4-oxo-1H-pyridin-3-yl)benzamide.
What is the SMILES notation for 3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(4-oxo-1H-pyridin-3-yl)benzamide?
The canonical SMILES for 3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(4-oxo-1H-pyridin-3-yl)benzamide is C[C@H]1C[C@@H]1C(=O)Nc1cccc(C(=O)Nc2c[nH]ccc2=O)c1.
What is the InChIKey of 3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(4-oxo-1H-pyridin-3-yl)benzamide?
The InChIKey is IBSXNWKUDLJBFL-GWCFXTLKSA-N. The full InChI is InChI=1S/C17H17N3O3/c1-10-7-13(10)17(23)19-12-4-2-3-11(8-12)16(22)20-14-9-18-6-5-15(14)21/h2-6,8-10,13H,7H2,1H3,(H,18,21)(H,19,23)(H,20,22)/t10-,13-/m0/s1.
What are the key properties of 3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(4-oxo-1H-pyridin-3-yl)benzamide?
3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(4-oxo-1H-pyridin-3-yl)benzamide has a molecular weight of 311.34 g/mol, XLogP of 2.22, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(1S,2S)-2-methylcyclopropanecarbonyl]amino]-N-(4-oxo-1H-pyridin-3-yl)benzamide is sourced from PubChem (CID 94151705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).