2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide

C10H14ClN3O — CID 76892362

IUPAC2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C10H14ClN3O/c1-6(2)9(12)10(15)14-8-4-3-7(11)5-13-8/h3-6,9H,12H2,1-2H3,(H,13,14,15)
InChIKeyZIMWXWQNPLQVFV-UHFFFAOYSA-N
MW227.69 g/mol
LogP1.66
Rot. Bonds3

About 2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide

2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide (PubChem CID 76892362) has the molecular formula C10H14ClN3O and a molecular weight of 227.69 g/mol. Its IUPAC name is 2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide.

Molecular Properties

Compound Name2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
PubChem CID76892362
Molecular FormulaC10H14ClN3O
Molecular Weight227.69 g/mol
Exact Mass227.08
IUPAC Name2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
SMILESCC(C)C(N)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C10H14ClN3O/c1-6(2)9(12)10(15)14-8-4-3-7(11)5-13-8/h3-6,9H,12H2,1-2H3,(H,13,14,15)
InChIKeyZIMWXWQNPLQVFV-UHFFFAOYSA-N
XLogP1.66
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.69
LogP ≤ 51.66
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-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 65226103
2-amino-N-(5-chloro-2-pyridinyl)butanamide
CID 60779855
N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide
CID 55756646
5-amino-N-(5-chloro-2-pyridinyl)-2-methylpentanamide
CID 104683574
2-amino-N-(4-chlorophenyl)-3-methylbutanamide
CID 18994324
4-chloro-N-[1-[(5-chloro-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 43019519
2-amino-N-(2-chloropyrimidin-4-yl)-3-methylbutanamide
CID 116795069
3-amino-N-(5-chloro-2-pyridinyl)-2-methoxypropanamide
CID 106111210
2-[(5-chloro-2-pyridinyl)amino]prop-2-enamide
CID 144725411
(2R)-N-(5-chloro-2-pyridinyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 2536471
(2S)-2-amino-N-(5-chloro-2-pyridinyl)-4-phenylbutanamide
CID 104983845

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide?
The IUPAC name of 2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide (CID 76892362) is 2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide.
What is the SMILES notation for 2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide?
The canonical SMILES for 2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide is CC(C)C(N)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of 2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide?
The InChIKey is ZIMWXWQNPLQVFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClN3O/c1-6(2)9(12)10(15)14-8-4-3-7(11)5-13-8/h3-6,9H,12H2,1-2H3,(H,13,14,15).
What are the key properties of 2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide?
2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide has a molecular weight of 227.69 g/mol, XLogP of 1.66, 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)-3-methylbutanamide is sourced from PubChem (CID 76892362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).