N-(2-chloroethyl)-N-cyclopentyl-3-hydroxypyridine-4-carboxamide

C13H17ClN2O2 — CID 81442647

IUPACN-(2-chloroethyl)-N-cyclopentyl-3-hydroxypyridine-4-carboxamide
SMILESO=C(c1ccncc1O)N(CCCl)C1CCCC1
InChIInChI=1S/C13H17ClN2O2/c14-6-8-16(10-3-1-2-4-10)13(18)11-5-7-15-9-12(11)17/h5,7,9-10,17H,1-4,6,8H2
InChIKeyRFZFDKHDQIJABN-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.41
Rot. Bonds4

About N-(2-chloroethyl)-N-cyclopentyl-3-hydroxypyridine-4-carboxamide

N-(2-chloroethyl)-N-cyclopentyl-3-hydroxypyridine-4-carboxamide (PubChem CID 81442647) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is N-(2-chloroethyl)-N-cyclopentyl-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloroethyl)-N-cyclopentyl-3-hydroxypyridine-4-carboxamide
PubChem CID81442647
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC NameN-(2-chloroethyl)-N-cyclopentyl-3-hydroxypyridine-4-carboxamide
SMILESO=C(c1ccncc1O)N(CCCl)C1CCCC1
InChIInChI=1S/C13H17ClN2O2/c14-6-8-16(10-3-1-2-4-10)13(18)11-5-7-15-9-12(11)17/h5,7,9-10,17H,1-4,6,8H2
InChIKeyRFZFDKHDQIJABN-UHFFFAOYSA-N
XLogP2.41
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.41
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-(2-chloroethyl)-N-cyclohexyl-3-methylpyridine-4-carboxamide
CID 114278806
N-(2-chloroethyl)-N-cyclopropyl-3-methoxypyridine-4-carboxamide
CID 105064483
N-cyclopropyl-3-hydroxy-N-(piperidin-2-ylmethyl)pyridine-4-carboxamide
CID 106626974
4-chloro-N-(2-chloroethyl)-N-cyclohexyl-2-hydroxybenzamide
CID 63391333
4-chloro-N-cyclohexyl-N-(2-hydroxyethyl)pyridine-3-carboxamide
CID 81226502
N-[2-[cyclopentyl(methyl)amino]ethyl]-3-hydroxypyridine-4-carboxamide
CID 80707249
4-bromo-N-(2-chloroethyl)-N-cyclobutyl-2-hydroxybenzamide
CID 102872665
N-ethyl-3-hydroxy-N-piperidin-4-ylpyridine-4-carboxamide
CID 81443530
N-(3-bromopropyl)-3-chloro-N-cyclobutylpyridine-4-carboxamide
CID 102872187
N-(2-amino-2-oxoethyl)-3-hydroxy-N-piperidin-3-ylpyridine-4-carboxamide
CID 81445654
N,N-bis(cyclopropylmethyl)-3-hydroxypyridine-4-carboxamide
CID 81443103
3-chloro-N-cyclohexyl-N-ethylpyridine-4-carboxamide
CID 66464797

Frequently Asked Questions

What is the IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-(2-chloroethyl)-N-cyclopentyl-3-hydroxypyridine-4-carboxamide (CID 81442647) is N-(2-chloroethyl)-N-cyclopentyl-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-(2-chloroethyl)-N-cyclopentyl-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-(2-chloroethyl)-N-cyclopentyl-3-hydroxypyridine-4-carboxamide is O=C(c1ccncc1O)N(CCCl)C1CCCC1.
What is the InChIKey of N-(2-chloroethyl)-N-cyclopentyl-3-hydroxypyridine-4-carboxamide?
The InChIKey is RFZFDKHDQIJABN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c14-6-8-16(10-3-1-2-4-10)13(18)11-5-7-15-9-12(11)17/h5,7,9-10,17H,1-4,6,8H2.
What are the key properties of N-(2-chloroethyl)-N-cyclopentyl-3-hydroxypyridine-4-carboxamide?
N-(2-chloroethyl)-N-cyclopentyl-3-hydroxypyridine-4-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloroethyl)-N-cyclopentyl-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 81442647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).