2-chloro-N-(5-methyl-3-pyridinyl)propanamide

C9H11ClN2O — CID 103881690

IUPAC2-chloro-N-(5-methyl-3-pyridinyl)propanamide
SMILESCc1cncc(NC(=O)C(C)Cl)c1
InChIInChI=1S/C9H11ClN2O/c1-6-3-8(5-11-4-6)12-9(13)7(2)10/h3-5,7H,1-2H3,(H,12,13)
InChIKeyHCWWSZCCPMLMGA-UHFFFAOYSA-N
MW198.65 g/mol
LogP1.96
Rot. Bonds2

About 2-chloro-N-(5-methyl-3-pyridinyl)propanamide

2-chloro-N-(5-methyl-3-pyridinyl)propanamide (PubChem CID 103881690) has the molecular formula C9H11ClN2O and a molecular weight of 198.65 g/mol. Its IUPAC name is 2-chloro-N-(5-methyl-3-pyridinyl)propanamide.

Molecular Properties

Compound Name2-chloro-N-(5-methyl-3-pyridinyl)propanamide
PubChem CID103881690
Molecular FormulaC9H11ClN2O
Molecular Weight198.65 g/mol
Exact Mass198.06
IUPAC Name2-chloro-N-(5-methyl-3-pyridinyl)propanamide
SMILESCc1cncc(NC(=O)C(C)Cl)c1
InChIInChI=1S/C9H11ClN2O/c1-6-3-8(5-11-4-6)12-9(13)7(2)10/h3-5,7H,1-2H3,(H,12,13)
InChIKeyHCWWSZCCPMLMGA-UHFFFAOYSA-N
XLogP1.96
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.65
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 2-chloro-N-(5-methyl-3-pyridinyl)propanamide 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

(2S)-2-amino-3-methyl-N-(5-methyl-3-pyridinyl)butanamide;dihydrochloride
CID 119884719
propan-2-yl N-(5-methyl-3-pyridinyl)carbamate
CID 107584983
2-amino-N-(5-methyl-3-pyridinyl)butanediamide
CID 103827807
2-amino-N-(5-methyl-3-pyridinyl)pent-4-ynamide
CID 107585441
2-amino-N-(5-methyl-3-pyridinyl)pent-4-enamide
CID 107585442
1-(5-methyl-3-pyridinyl)-3-phenylurea
CID 110748489
1-(5-methyl-3-pyridinyl)-3-propan-2-ylthiourea
CID 103739101
ethane;N-(5-methyl-3-pyridinyl)cyclopropanecarboxamide
CID 144888872
1-methoxy-3-(5-methyl-3-pyridinyl)urea
CID 131084336
4-methyl-N-(5-methyl-3-pyridinyl)benzamide
CID 110727246
2-[(5-methyl-3-pyridinyl)carbamoyl-propan-2-ylamino]acetic acid
CID 107265702
2-amino-N-(5-methyl-3-pyridinyl)-2-(oxan-4-yl)acetamide;dihydrochloride
CID 120800459

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(5-methyl-3-pyridinyl)propanamide?
The IUPAC name of 2-chloro-N-(5-methyl-3-pyridinyl)propanamide (CID 103881690) is 2-chloro-N-(5-methyl-3-pyridinyl)propanamide.
What is the SMILES notation for 2-chloro-N-(5-methyl-3-pyridinyl)propanamide?
The canonical SMILES for 2-chloro-N-(5-methyl-3-pyridinyl)propanamide is Cc1cncc(NC(=O)C(C)Cl)c1.
What is the InChIKey of 2-chloro-N-(5-methyl-3-pyridinyl)propanamide?
The InChIKey is HCWWSZCCPMLMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O/c1-6-3-8(5-11-4-6)12-9(13)7(2)10/h3-5,7H,1-2H3,(H,12,13).
What are the key properties of 2-chloro-N-(5-methyl-3-pyridinyl)propanamide?
2-chloro-N-(5-methyl-3-pyridinyl)propanamide has a molecular weight of 198.65 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(5-methyl-3-pyridinyl)propanamide is sourced from PubChem (CID 103881690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).