N-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide

C15H14ClN3O2 — CID 10685889

IUPACN-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cccnc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O2/c1-10(18-15(21)11-3-2-8-17-9-11)14(20)19-13-6-4-12(16)5-7-13/h2-10H,1H3,(H,18,21)(H,19,20)/t10-/m1/s1
InChIKeyZBSKAXPCDIXDPL-SNVBAGLBSA-N
MW303.75 g/mol
LogP2.49
Rot. Bonds4

About N-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide

N-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide (PubChem CID 10685889) has the molecular formula C15H14ClN3O2 and a molecular weight of 303.75 g/mol. Its IUPAC name is N-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
PubChem CID10685889
Molecular FormulaC15H14ClN3O2
Molecular Weight303.75 g/mol
Exact Mass303.08
IUPAC NameN-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
SMILESC[C@@H](NC(=O)c1cccnc1)C(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C15H14ClN3O2/c1-10(18-15(21)11-3-2-8-17-9-11)14(20)19-13-6-4-12(16)5-7-13/h2-10H,1H3,(H,18,21)(H,19,20)/t10-/m1/s1
InChIKeyZBSKAXPCDIXDPL-SNVBAGLBSA-N
XLogP2.49
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 25239194
N-[(2S)-1-(3-chloro-4-fluoroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 39819250
4-[2-[(4-chlorobenzoyl)amino]propanoylamino]-N-methylbenzamide
CID 51147091
N-[4-(propan-2-ylcarbamoyl)phenyl]pyridine-3-carboxamide
CID 26157561
N-[1-(4-chloroanilino)-1-oxopropan-2-yl]-3,5-difluorobenzamide
CID 42960816
N-[2-(4-chlorophenyl)-1-hydroxy-2-oxoethyl]pyridine-3-carboxamide
CID 3039041
3-[2-[(4-chlorobenzoyl)amino]propanoylamino]benzamide
CID 112767596
N-(4-acetamidophenyl)pyridine-3-carboxamide
CID 766053
N-[1-(3-acetamidoanilino)-1-oxopropan-2-yl]-4-chlorobenzamide
CID 112763253
N-[(2S)-1-[[(2S)-1-[(2-amino-2-oxoethyl)amino]-1-oxopropan-2-yl]amino]-1-oxopropan-2-yl]pyridine-3-carboxamide
CID 122212314
N-[1-oxo-1-(4-pyridin-4-yloxyanilino)propan-2-yl]benzamide
CID 49415661
4-[(4-chlorobenzoyl)amino]-N-pyridin-3-ylbenzamide
CID 38754764

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide (CID 10685889) is N-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide is C[C@@H](NC(=O)c1cccnc1)C(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
The InChIKey is ZBSKAXPCDIXDPL-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H14ClN3O2/c1-10(18-15(21)11-3-2-8-17-9-11)14(20)19-13-6-4-12(16)5-7-13/h2-10H,1H3,(H,18,21)(H,19,20)/t10-/m1/s1.
What are the key properties of N-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide?
N-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide has a molecular weight of 303.75 g/mol, XLogP of 2.49, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-1-(4-chloroanilino)-1-oxopropan-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 10685889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).