(2S)-2-amino-N-(2,6-dichloro-4-methyl-3-pyridinyl)pentanamide

C11H15Cl2N3O — CID 114051376

IUPAC(2S)-2-amino-N-(2,6-dichloro-4-methyl-3-pyridinyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1c(C)cc(Cl)nc1Cl
InChIInChI=1S/C11H15Cl2N3O/c1-3-4-7(14)11(17)16-9-6(2)5-8(12)15-10(9)13/h5,7H,3-4,14H2,1-2H3,(H,16,17)/t7-/m0/s1
InChIKeyJWGSUJWKSWHWIT-ZETCQYMHSA-N
MW276.17 g/mol
LogP2.76
Rot. Bonds4

About (2S)-2-amino-N-(2,6-dichloro-4-methyl-3-pyridinyl)pentanamide

(2S)-2-amino-N-(2,6-dichloro-4-methyl-3-pyridinyl)pentanamide (PubChem CID 114051376) has the molecular formula C11H15Cl2N3O and a molecular weight of 276.17 g/mol. Its IUPAC name is (2S)-2-amino-N-(2,6-dichloro-4-methyl-3-pyridinyl)pentanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2,6-dichloro-4-methyl-3-pyridinyl)pentanamide
PubChem CID114051376
Molecular FormulaC11H15Cl2N3O
Molecular Weight276.17 g/mol
Exact Mass275.06
IUPAC Name(2S)-2-amino-N-(2,6-dichloro-4-methyl-3-pyridinyl)pentanamide
SMILESCCC[C@H](N)C(=O)Nc1c(C)cc(Cl)nc1Cl
InChIInChI=1S/C11H15Cl2N3O/c1-3-4-7(14)11(17)16-9-6(2)5-8(12)15-10(9)13/h5,7H,3-4,14H2,1-2H3,(H,16,17)/t7-/m0/s1
InChIKeyJWGSUJWKSWHWIT-ZETCQYMHSA-N
XLogP2.76
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.17
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze (2S)-2-amino-N-(2,6-dichloro-4-methyl-3-pyridinyl)pentanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-amino-N-(2,4,6-trichlorophenyl)pentanamide
CID 43650225
2-amino-N-(2-chloro-6-methylphenyl)pentanamide
CID 66254750
(2S)-2-amino-N-(2,4,6-trimethylphenyl)hexanamide
CID 103830837
(2R)-2-amino-N-(2,3,4,5,6-pentafluorophenyl)pentanamide
CID 107570332
(2S)-2-amino-N-(6-chloro-2-pyridinyl)pentanamide
CID 107570362
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-(2-methylphenyl)acetamide
CID 103738379
(2S)-2-amino-N-(2,4,6-tribromophenyl)pentanamide
CID 107568149
2-amino-N-(3,5-dimethyl-1-propan-2-ylpyrazol-4-yl)pentanamide
CID 54863652
2-[[(2R)-2-aminopentanoyl]amino]-3,5-dichlorobenzoic acid
CID 107569132
N-(2,6-dichloro-4-methyl-3-pyridinyl)-2-pyrazol-1-ylpropanamide
CID 113252041
2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680705
(2S)-2-amino-N-(3,5-dichloro-4-hydroxyphenyl)pentanamide
CID 107680682

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2,6-dichloro-4-methyl-3-pyridinyl)pentanamide?
The IUPAC name of (2S)-2-amino-N-(2,6-dichloro-4-methyl-3-pyridinyl)pentanamide (CID 114051376) is (2S)-2-amino-N-(2,6-dichloro-4-methyl-3-pyridinyl)pentanamide.
What is the SMILES notation for (2S)-2-amino-N-(2,6-dichloro-4-methyl-3-pyridinyl)pentanamide?
The canonical SMILES for (2S)-2-amino-N-(2,6-dichloro-4-methyl-3-pyridinyl)pentanamide is CCC[C@H](N)C(=O)Nc1c(C)cc(Cl)nc1Cl.
What is the InChIKey of (2S)-2-amino-N-(2,6-dichloro-4-methyl-3-pyridinyl)pentanamide?
The InChIKey is JWGSUJWKSWHWIT-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H15Cl2N3O/c1-3-4-7(14)11(17)16-9-6(2)5-8(12)15-10(9)13/h5,7H,3-4,14H2,1-2H3,(H,16,17)/t7-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2,6-dichloro-4-methyl-3-pyridinyl)pentanamide?
(2S)-2-amino-N-(2,6-dichloro-4-methyl-3-pyridinyl)pentanamide has a molecular weight of 276.17 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2,6-dichloro-4-methyl-3-pyridinyl)pentanamide is sourced from PubChem (CID 114051376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).