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

C10H13ClN2O — CID 63393519

IUPACN-(2-chloropropyl)-N-methylpyridine-2-carboxamide
SMILESCC(Cl)CN(C)C(=O)c1ccccn1
InChIInChI=1S/C10H13ClN2O/c1-8(11)7-13(2)10(14)9-5-3-4-6-12-9/h3-6,8H,7H2,1-2H3
InChIKeyUKLQXTPAELRFTB-UHFFFAOYSA-N
MW212.68 g/mol
LogP1.78
Rot. Bonds3

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

N-(2-chloropropyl)-N-methylpyridine-2-carboxamide (PubChem CID 63393519) has the molecular formula C10H13ClN2O and a molecular weight of 212.68 g/mol. Its IUPAC name is N-(2-chloropropyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-chloropropyl)-N-methylpyridine-2-carboxamide
PubChem CID63393519
Molecular FormulaC10H13ClN2O
Molecular Weight212.68 g/mol
Exact Mass212.07
IUPAC NameN-(2-chloropropyl)-N-methylpyridine-2-carboxamide
SMILESCC(Cl)CN(C)C(=O)c1ccccn1
InChIInChI=1S/C10H13ClN2O/c1-8(11)7-13(2)10(14)9-5-3-4-6-12-9/h3-6,8H,7H2,1-2H3
InChIKeyUKLQXTPAELRFTB-UHFFFAOYSA-N
XLogP1.78
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.68
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-N-[2-[methyl(pyridine-2-carbonyl)amino]ethyl]pyridine-2-carboxamide
CID 86031517
N-[2-(3,4-dichlorophenyl)butyl]-N-methylpyridine-2-carboxamide
CID 91216734
methyl 2-[methyl(pyridine-2-carbonyl)amino]acetate
CID 43407333
N-methylpyridine-2-carbohydrazide
CID 45084309
N-[2-hydroxy-3-(4-methylpiperazin-1-yl)propyl]-N-methylpyridine-2-carboxamide
CID 111695265
N-[[2-(aminomethyl)phenyl]methyl]-N-methylpyridine-2-carboxamide
CID 54939155
N-[(2R)-2-phenylpropyl]pyridine-2-carboxamide
CID 9302014
N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide
CID 42942380
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
4-chloro-N-(2-chloropropyl)-N-methylbenzamide
CID 63393567
N-[(5-bromothiophen-2-yl)methyl]-N-methylpyridine-2-carboxamide
CID 78792331
N-[(2R)-butan-2-yl]-N-cyclohepta-2,4,6-trien-1-ylpyridine-2-carboxamide
CID 138979239

Frequently Asked Questions

What is the IUPAC name of N-(2-chloropropyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-(2-chloropropyl)-N-methylpyridine-2-carboxamide (CID 63393519) is N-(2-chloropropyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-(2-chloropropyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-(2-chloropropyl)-N-methylpyridine-2-carboxamide is CC(Cl)CN(C)C(=O)c1ccccn1.
What is the InChIKey of N-(2-chloropropyl)-N-methylpyridine-2-carboxamide?
The InChIKey is UKLQXTPAELRFTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O/c1-8(11)7-13(2)10(14)9-5-3-4-6-12-9/h3-6,8H,7H2,1-2H3.
What are the key properties of N-(2-chloropropyl)-N-methylpyridine-2-carboxamide?
N-(2-chloropropyl)-N-methylpyridine-2-carboxamide has a molecular weight of 212.68 g/mol, XLogP of 1.78, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloropropyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 63393519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).