N-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide

C10H13ClN2O2 — CID 105064527

IUPACN-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NC(C)CCl
InChIInChI=1S/C10H13ClN2O2/c1-7(5-11)13-10(14)8-3-4-12-6-9(8)15-2/h3-4,6-7H,5H2,1-2H3,(H,13,14)
InChIKeyWQHZQBXQVMPWPW-UHFFFAOYSA-N
MW228.68 g/mol
LogP1.45
Rot. Bonds4

About N-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide

N-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide (PubChem CID 105064527) has the molecular formula C10H13ClN2O2 and a molecular weight of 228.68 g/mol. Its IUPAC name is N-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide
PubChem CID105064527
Molecular FormulaC10H13ClN2O2
Molecular Weight228.68 g/mol
Exact Mass228.07
IUPAC NameN-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)NC(C)CCl
InChIInChI=1S/C10H13ClN2O2/c1-7(5-11)13-10(14)8-3-4-12-6-9(8)15-2/h3-4,6-7H,5H2,1-2H3,(H,13,14)
InChIKeyWQHZQBXQVMPWPW-UHFFFAOYSA-N
XLogP1.45
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.68
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(1-chloro-3-methoxypropan-2-yl)-3-methoxypyridine-4-carboxamide
CID 106182637
3-methoxy-N-(3-oxopentan-2-yl)pyridine-4-carboxamide
CID 105063550
N-(1-chloropentan-3-yl)-3-methoxypyridine-4-carboxamide
CID 105064609
N-(1-bromo-4-methylpentan-2-yl)-3-methoxypyridine-4-carboxamide
CID 105064559
(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-4-methylpentanoic acid
CID 105063148
3-methoxy-N-(2-methylpropyl)pyridine-4-carboxamide
CID 105063807
3-[(3-methoxypyridine-4-carbonyl)amino]pentanoic acid
CID 105063292
4-amino-2-[(3-methoxypyridine-4-carbonyl)amino]-4-oxobutanoic acid
CID 105063070
(2R)-2-[(3-methoxypyridine-4-carbonyl)amino]-3,3-dimethylbutanoic acid
CID 105063303
N-(3-bromobutyl)-3-methoxypyridine-4-carboxamide
CID 105064561
N-[1-chloro-2-(chloromethyl)butan-2-yl]-3-methoxypyridine-4-carboxamide
CID 114010911
N-(2-bromo-3-methylbutyl)-3-methoxypyridine-4-carboxamide
CID 105064608

Frequently Asked Questions

What is the IUPAC name of N-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide (CID 105064527) is N-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=O)NC(C)CCl.
What is the InChIKey of N-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide?
The InChIKey is WQHZQBXQVMPWPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O2/c1-7(5-11)13-10(14)8-3-4-12-6-9(8)15-2/h3-4,6-7H,5H2,1-2H3,(H,13,14).
What are the key properties of N-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide?
N-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide has a molecular weight of 228.68 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-chloropropan-2-yl)-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 105064527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).