2-amino-N-(5-chloro-2-pyridinyl)butanamide

C9H12ClN3O — CID 60779855

IUPAC2-amino-N-(5-chloro-2-pyridinyl)butanamide
SMILESCCC(N)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C9H12ClN3O/c1-2-7(11)9(14)13-8-4-3-6(10)5-12-8/h3-5,7H,2,11H2,1H3,(H,12,13,14)
InChIKeyLSGWJUNGBRYNOY-UHFFFAOYSA-N
MW213.67 g/mol
LogP1.41
Rot. Bonds3

About 2-amino-N-(5-chloro-2-pyridinyl)butanamide

2-amino-N-(5-chloro-2-pyridinyl)butanamide (PubChem CID 60779855) has the molecular formula C9H12ClN3O and a molecular weight of 213.67 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-2-pyridinyl)butanamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-2-pyridinyl)butanamide
PubChem CID60779855
Molecular FormulaC9H12ClN3O
Molecular Weight213.67 g/mol
Exact Mass213.07
IUPAC Name2-amino-N-(5-chloro-2-pyridinyl)butanamide
SMILESCCC(N)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C9H12ClN3O/c1-2-7(11)9(14)13-8-4-3-6(10)5-12-8/h3-5,7H,2,11H2,1H3,(H,12,13,14)
InChIKeyLSGWJUNGBRYNOY-UHFFFAOYSA-N
XLogP1.41
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.67
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165
2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 76892362
(2S)-2-amino-N-(5-chloro-2-pyridinyl)-4-phenylbutanamide
CID 104983845
2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 65226103
3-amino-N-(5-chloro-2-pyridinyl)-2-methoxypropanamide
CID 106111210
5-amino-N-(5-chloro-2-pyridinyl)-2-methylpentanamide
CID 104683574
2-amino-N-(5-chloro-2-pyridinyl)-3-(4,4-difluorocyclohexyl)propanamide
CID 58967481
N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide
CID 55756646
1-(5-chloro-2-pyridinyl)-3-propylurea
CID 17276170
2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-2-ethylbutanamide
CID 113308872
[(2R)-1-[(5-chloro-2-pyridinyl)amino]-1-oxopropan-2-yl] (2S)-2-hydroxy-2-phenylacetate
CID 7821819
2-chloro-N-(5-chloro-2-pyridinyl)-2-phenylacetamide
CID 43245528

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-2-pyridinyl)butanamide?
The IUPAC name of 2-amino-N-(5-chloro-2-pyridinyl)butanamide (CID 60779855) is 2-amino-N-(5-chloro-2-pyridinyl)butanamide.
What is the SMILES notation for 2-amino-N-(5-chloro-2-pyridinyl)butanamide?
The canonical SMILES for 2-amino-N-(5-chloro-2-pyridinyl)butanamide is CCC(N)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-amino-N-(5-chloro-2-pyridinyl)butanamide?
The InChIKey is LSGWJUNGBRYNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O/c1-2-7(11)9(14)13-8-4-3-6(10)5-12-8/h3-5,7H,2,11H2,1H3,(H,12,13,14).
What are the key properties of 2-amino-N-(5-chloro-2-pyridinyl)butanamide?
2-amino-N-(5-chloro-2-pyridinyl)butanamide has a molecular weight of 213.67 g/mol, XLogP of 1.41, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(5-chloro-2-pyridinyl)butanamide is sourced from PubChem (CID 60779855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).