N-(2-chloroethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide

C12H15ClN2O2 — CID 105064483

IUPACN-(2-chloroethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)N(CCCl)C1CC1
InChIInChI=1S/C12H15ClN2O2/c1-17-11-8-14-6-4-10(11)12(16)15(7-5-13)9-2-3-9/h4,6,8-9H,2-3,5,7H2,1H3
InChIKeyZGDNNYFEQJGQLP-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.93
Rot. Bonds5

About N-(2-chloroethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide

N-(2-chloroethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide (PubChem CID 105064483) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide
PubChem CID105064483
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN-(2-chloroethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide
SMILESCOc1cnccc1C(=O)N(CCCl)C1CC1
InChIInChI=1S/C12H15ClN2O2/c1-17-11-8-14-6-4-10(11)12(16)15(7-5-13)9-2-3-9/h4,6,8-9H,2-3,5,7H2,1H3
InChIKeyZGDNNYFEQJGQLP-UHFFFAOYSA-N
XLogP1.93
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide
CID 105063440
4-chloro-N-(2-chloroethyl)-N-cyclopropyl-2-methoxybenzamide
CID 55186100
N-(2-chloroethyl)-N-cyclohexyl-3-methylpyridine-4-carboxamide
CID 114278806
N-(2-chloroethyl)-N-cyclopentyl-3-hydroxypyridine-4-carboxamide
CID 81442647
N-ethyl-3-methoxy-N-piperidin-3-ylpyridine-4-carboxamide
CID 105064085
N-benzyl-N-(2-chloroethyl)-3-methoxypyridine-4-carboxamide
CID 105064469
3-chloro-N-cyclopropyl-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 66482566
N-[(3-chlorocyclobutyl)methyl]-3-methoxy-N-methylpyridine-4-carboxamide
CID 105064491
cyclobutyl-(3-methoxy-4-pyridinyl)methanone
CID 105065110
methyl 2-[(3-methoxypyridine-4-carbonyl)-methylamino]acetate
CID 105064217
N-(2-chloroethyl)-N-cyclopropyl-2-hydroxy-5-methoxybenzamide
CID 63394206
2-[ethyl-(3-methoxypyridine-4-carbonyl)amino]-2-methylpropanoic acid
CID 105063162

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide (CID 105064483) is N-(2-chloroethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide is COc1cnccc1C(=O)N(CCCl)C1CC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide?
The InChIKey is ZGDNNYFEQJGQLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c1-17-11-8-14-6-4-10(11)12(16)15(7-5-13)9-2-3-9/h4,6,8-9H,2-3,5,7H2,1H3.
What are the key properties of N-(2-chloroethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide?
N-(2-chloroethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide is sourced from PubChem (CID 105064483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).