3-amino-N-(3-chloro-2-pyridinyl)-4-methylpentanamide

C11H16ClN3O — CID 103094172

IUPAC3-amino-N-(3-chloro-2-pyridinyl)-4-methylpentanamide
SMILESCC(C)C(N)CC(=O)Nc1ncccc1Cl
InChIInChI=1S/C11H16ClN3O/c1-7(2)9(13)6-10(16)15-11-8(12)4-3-5-14-11/h3-5,7,9H,6,13H2,1-2H3,(H,14,15,16)
InChIKeyMHQSNZQKICKFQG-UHFFFAOYSA-N
MW241.72 g/mol
LogP2.05
Rot. Bonds4

About 3-amino-N-(3-chloro-2-pyridinyl)-4-methylpentanamide

3-amino-N-(3-chloro-2-pyridinyl)-4-methylpentanamide (PubChem CID 103094172) has the molecular formula C11H16ClN3O and a molecular weight of 241.72 g/mol. Its IUPAC name is 3-amino-N-(3-chloro-2-pyridinyl)-4-methylpentanamide.

Molecular Properties

Compound Name3-amino-N-(3-chloro-2-pyridinyl)-4-methylpentanamide
PubChem CID103094172
Molecular FormulaC11H16ClN3O
Molecular Weight241.72 g/mol
Exact Mass241.10
IUPAC Name3-amino-N-(3-chloro-2-pyridinyl)-4-methylpentanamide
SMILESCC(C)C(N)CC(=O)Nc1ncccc1Cl
InChIInChI=1S/C11H16ClN3O/c1-7(2)9(13)6-10(16)15-11-8(12)4-3-5-14-11/h3-5,7,9H,6,13H2,1-2H3,(H,14,15,16)
InChIKeyMHQSNZQKICKFQG-UHFFFAOYSA-N
XLogP2.05
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.72
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-chloro-2-pyridinyl)-3-methylsulfanylbutanamide
CID 75498742
1-(3-chloro-2-pyridinyl)-3-propan-2-ylurea
CID 103886204
N-(3-chloro-2-pyridinyl)-2-phenylacetamide
CID 903998
N-(3-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 103892864
N-(3-chloro-2-pyridinyl)-3-methoxypropanamide
CID 75448204
(3S)-N-(3-hydroxy-2-pyridinyl)-3,4-dimethylpentanamide
CID 95276418
N-(3-chloro-2-pyridinyl)-3-piperidin-3-ylbutanamide
CID 103094136
methyl N-(3-chloro-2-pyridinyl)carbamate
CID 103094493
4-amino-5-[(3-chloro-2-pyridinyl)amino]-5-oxopentanoic acid
CID 103094277
(2S)-1-N-(3-chloro-2-pyridinyl)propane-1,2-diamine
CID 142991116
methyl 2-[(3-chloro-2-pyridinyl)amino]propanoate
CID 43515165
N-(3-chloro-2-pyridinyl)-2-phenylsulfanylacetamide
CID 103893032

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(3-chloro-2-pyridinyl)-4-methylpentanamide?
The IUPAC name of 3-amino-N-(3-chloro-2-pyridinyl)-4-methylpentanamide (CID 103094172) is 3-amino-N-(3-chloro-2-pyridinyl)-4-methylpentanamide.
What is the SMILES notation for 3-amino-N-(3-chloro-2-pyridinyl)-4-methylpentanamide?
The canonical SMILES for 3-amino-N-(3-chloro-2-pyridinyl)-4-methylpentanamide is CC(C)C(N)CC(=O)Nc1ncccc1Cl.
What is the InChIKey of 3-amino-N-(3-chloro-2-pyridinyl)-4-methylpentanamide?
The InChIKey is MHQSNZQKICKFQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClN3O/c1-7(2)9(13)6-10(16)15-11-8(12)4-3-5-14-11/h3-5,7,9H,6,13H2,1-2H3,(H,14,15,16).
What are the key properties of 3-amino-N-(3-chloro-2-pyridinyl)-4-methylpentanamide?
3-amino-N-(3-chloro-2-pyridinyl)-4-methylpentanamide has a molecular weight of 241.72 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(3-chloro-2-pyridinyl)-4-methylpentanamide is sourced from PubChem (CID 103094172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).