N-(3-chloro-2-pyridinyl)-2-cyanobutanamide

C10H10ClN3O — CID 103094355

IUPACN-(3-chloro-2-pyridinyl)-2-cyanobutanamide
SMILESCCC(C#N)C(=O)Nc1ncccc1Cl
InChIInChI=1S/C10H10ClN3O/c1-2-7(6-12)10(15)14-9-8(11)4-3-5-13-9/h3-5,7H,2H2,1H3,(H,13,14,15)
InChIKeyYEULJENDBJNJOI-UHFFFAOYSA-N
MW223.66 g/mol
LogP2.22
Rot. Bonds3

About N-(3-chloro-2-pyridinyl)-2-cyanobutanamide

N-(3-chloro-2-pyridinyl)-2-cyanobutanamide (PubChem CID 103094355) has the molecular formula C10H10ClN3O and a molecular weight of 223.66 g/mol. Its IUPAC name is N-(3-chloro-2-pyridinyl)-2-cyanobutanamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyridinyl)-2-cyanobutanamide
PubChem CID103094355
Molecular FormulaC10H10ClN3O
Molecular Weight223.66 g/mol
Exact Mass223.05
IUPAC NameN-(3-chloro-2-pyridinyl)-2-cyanobutanamide
SMILESCCC(C#N)C(=O)Nc1ncccc1Cl
InChIInChI=1S/C10H10ClN3O/c1-2-7(6-12)10(15)14-9-8(11)4-3-5-13-9/h3-5,7H,2H2,1H3,(H,13,14,15)
InChIKeyYEULJENDBJNJOI-UHFFFAOYSA-N
XLogP2.22
TPSA65.78 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-pyridinyl)-2-cyano-3-phenylpropanamide
CID 103094354
N-(3-chloro-2-pyridinyl)-2-ethylhexanamide
CID 103943579
2-(aminomethyl)-N-(3-chloro-2-pyridinyl)-4,4-dimethylpentanamide
CID 107472859
1-(3-chloro-2-pyridinyl)-3-propylurea
CID 103886211
methyl N-(3-chloro-2-pyridinyl)carbamate
CID 103094493
1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea
CID 103886204
4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid
CID 103094277
ethyl N-[(3-chloro-2-pyridinyl)carbamothioyl]carbamate
CID 154638035
1-[(3-chloro-2-pyridinyl)amino]pentan-3-ol
CID 115702068
2-cyano-N-thiophen-2-ylbutanamide
CID 115188104
N-(2-chloro-4-methoxyphenyl)-2-cyanobutanamide
CID 115188142
N-(3-chloro-2-pyridinyl)-3-methylsulfanylbutanamide
CID 75498742

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyridinyl)-2-cyanobutanamide?
The IUPAC name of N-(3-chloro-2-pyridinyl)-2-cyanobutanamide (CID 103094355) is N-(3-chloro-2-pyridinyl)-2-cyanobutanamide.
What is the SMILES notation for N-(3-chloro-2-pyridinyl)-2-cyanobutanamide?
The canonical SMILES for N-(3-chloro-2-pyridinyl)-2-cyanobutanamide is CCC(C#N)C(=O)Nc1ncccc1Cl.
What is the InChIKey of N-(3-chloro-2-pyridinyl)-2-cyanobutanamide?
The InChIKey is YEULJENDBJNJOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClN3O/c1-2-7(6-12)10(15)14-9-8(11)4-3-5-13-9/h3-5,7H,2H2,1H3,(H,13,14,15).
What are the key properties of N-(3-chloro-2-pyridinyl)-2-cyanobutanamide?
N-(3-chloro-2-pyridinyl)-2-cyanobutanamide has a molecular weight of 223.66 g/mol, XLogP of 2.22, 3 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-cyanobutanamide is sourced from PubChem (CID 103094355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).