N-(3-chloro-2-pyridinyl)-2-cyano-3-phenylpropanamide

C15H12ClN3O — CID 103094354

IUPACN-(3-chloro-2-pyridinyl)-2-cyano-3-phenylpropanamide
SMILESN#CC(Cc1ccccc1)C(=O)Nc1ncccc1Cl
InChIInChI=1S/C15H12ClN3O/c16-13-7-4-8-18-14(13)19-15(20)12(10-17)9-11-5-2-1-3-6-11/h1-8,12H,9H2,(H,18,19,20)
InChIKeyPXYOWLRWZBOXMZ-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.06
Rot. Bonds4

About N-(3-chloro-2-pyridinyl)-2-cyano-3-phenylpropanamide

N-(3-chloro-2-pyridinyl)-2-cyano-3-phenylpropanamide (PubChem CID 103094354) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-2-cyano-3-phenylpropanamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-2-cyano-3-phenylpropanamide
PubChem CID103094354
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC NameN-(3-chloro-2-pyridinyl)-2-cyano-3-phenylpropanamide
SMILESN#CC(Cc1ccccc1)C(=O)Nc1ncccc1Cl
InChIInChI=1S/C15H12ClN3O/c16-13-7-4-8-18-14(13)19-15(20)12(10-17)9-11-5-2-1-3-6-11/h1-8,12H,9H2,(H,18,19,20)
InChIKeyPXYOWLRWZBOXMZ-UHFFFAOYSA-N
XLogP3.06
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-pyridinyl)-2-cyanobutanamide
CID 103094355
N-(3-chloro-2-pyridinyl)-2-phenylacetamide
CID 903998
(2S)-2-cyano-N-phenyl-3-pyridin-3-ylpropanamide
CID 863695
2-cyano-N-(6-oxo-1H-pyridazin-3-yl)-3-phenylpropanamide
CID 116787076
2-benzyl-3-oxobutanenitrile;hydrate
CID 22323303
2-[(3-chloro-2-pyridinyl)amino]-3-phenylpropan-1-ol
CID 63261066
2-cyano-N-(2-hydroxypropyl)-3-phenylpropanamide
CID 107857151
4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid
CID 103094277
(2S)-2-cyano-3-phenylpropanoate
CID 6928308
2-[(3-chloro-2-pyridinyl)carbamoylamino]acetic acid
CID 103094708
2-cyano-N-(3-ethyl-1-methylpyrazol-4-yl)-3-phenylpropanamide
CID 107463211
N-(3-chloro-2-pyridinyl)-2-phenylsulfanylacetamide
CID 103893032

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-2-cyano-3-phenylpropanamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-2-cyano-3-phenylpropanamide (CID 103094354) is N-(3-chloro-2-pyridinyl)-2-cyano-3-phenylpropanamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-2-cyano-3-phenylpropanamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-2-cyano-3-phenylpropanamide is N#CC(Cc1ccccc1)C(=O)Nc1ncccc1Cl.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-2-cyano-3-phenylpropanamide?
The InChIKey is PXYOWLRWZBOXMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c16-13-7-4-8-18-14(13)19-15(20)12(10-17)9-11-5-2-1-3-6-11/h1-8,12H,9H2,(H,18,19,20).
What are the key properties of N-(3-chloro-2-pyridinyl)-2-cyano-3-phenylpropanamide?
N-(3-chloro-2-pyridinyl)-2-cyano-3-phenylpropanamide has a molecular weight of 285.73 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyridinyl)-2-cyano-3-phenylpropanamide is sourced from PubChem (CID 103094354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).