N-(2-chloropropyl)-6-methylpyridine-2-carboxamide

C10H13ClN2O — CID 114296366

IUPACN-(2-chloropropyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCC(C)Cl)n1
InChIInChI=1S/C10H13ClN2O/c1-7(11)6-12-10(14)9-5-3-4-8(2)13-9/h3-5,7H,6H2,1-2H3,(H,12,14)
InChIKeyPAJZGVOMUVPGAV-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.75
Rot. Bonds3

About N-(2-chloropropyl)-6-methylpyridine-2-carboxamide

N-(2-chloropropyl)-6-methylpyridine-2-carboxamide (PubChem CID 114296366) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is N-(2-chloropropyl)-6-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-6-methylpyridine-2-carboxamide
PubChem CID114296366
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC NameN-(2-chloropropyl)-6-methylpyridine-2-carboxamide
SMILESCc1cccc(C(=O)NCC(C)Cl)n1
InChIInChI=1S/C10H13ClN2O/c1-7(11)6-12-10(14)9-5-3-4-8(2)13-9/h3-5,7H,6H2,1-2H3,(H,12,14)
InChIKeyPAJZGVOMUVPGAV-UHFFFAOYSA-N
XLogP1.75
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chloro-4-methylpentyl)-6-methylpyridine-2-carboxamide
CID 107157522
(2S)-2-methyl-3-[(6-methylpyridine-2-carbonyl)amino]propanoic acid
CID 94540901
N-(2-ethylbutyl)-6-methylpyridine-2-carboxamide
CID 115612957
N-(4-amino-2-methylbutyl)-6-methylpyridine-2-carboxamide
CID 66089048
3-[(6-methylpyridine-2-carbonyl)amino]-2-phenylpropanoic acid
CID 62884347
methyl 2-[(6-methylpyridine-2-carbonyl)amino]acetate
CID 43423240
2-N-(2-methylpropyl)-6-N-phenylpyridine-2,6-dicarboxamide
CID 109094464
6-chloro-N-(2,3-dimethylbutyl)pyridine-2-carboxamide
CID 64570115
N-(5-iodopentyl)-6-methylpyridine-2-carboxamide
CID 107322243
6-N-(4-chlorophenyl)-2-N-(2-methylpropyl)pyridine-2,6-dicarboxamide
CID 109094492
N-(3-bromobutan-2-yl)-6-methylpyridine-2-carboxamide
CID 131183457
6-methyl-N-propan-2-ylsulfonylpyridine-2-carboxamide
CID 122628419

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-6-methylpyridine-2-carboxamide?
The IUPAC name of N-(2-chloropropyl)-6-methylpyridine-2-carboxamide (CID 114296366) is N-(2-chloropropyl)-6-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-chloropropyl)-6-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2-chloropropyl)-6-methylpyridine-2-carboxamide is Cc1cccc(C(=O)NCC(C)Cl)n1.
What is the InChIKey of N-(2-chloropropyl)-6-methylpyridine-2-carboxamide?
The InChIKey is PAJZGVOMUVPGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-7(11)6-12-10(14)9-5-3-4-8(2)13-9/h3-5,7H,6H2,1-2H3,(H,12,14).
What are the key properties of N-(2-chloropropyl)-6-methylpyridine-2-carboxamide?
N-(2-chloropropyl)-6-methylpyridine-2-carboxamide has a molecular weight of 212.68 g/mol, XLogP of 1.75, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-6-methylpyridine-2-carboxamide is sourced from PubChem (CID 114296366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).