N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-hydroxypyridine-4-carboxamide

C12H15ClN2O2 — CID 114758192

IUPACN-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-hydroxypyridine-4-carboxamide
SMILESO=C(NCC1(CCCl)CC1)c1ccncc1O
InChIInChI=1S/C12H15ClN2O2/c13-5-4-12(2-3-12)8-15-11(17)9-1-6-14-7-10(9)16/h1,6-7,16H,2-5,8H2,(H,15,17)
InChIKeyAFDZENNMONLPGE-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.93
Rot. Bonds5

About N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-hydroxypyridine-4-carboxamide

N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-hydroxypyridine-4-carboxamide (PubChem CID 114758192) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-hydroxypyridine-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-hydroxypyridine-4-carboxamide
PubChem CID114758192
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC NameN-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-hydroxypyridine-4-carboxamide
SMILESO=C(NCC1(CCCl)CC1)c1ccncc1O
InChIInChI=1S/C12H15ClN2O2/c13-5-4-12(2-3-12)8-15-11(17)9-1-6-14-7-10(9)16/h1,6-7,16H,2-5,8H2,(H,15,17)
InChIKeyAFDZENNMONLPGE-UHFFFAOYSA-N
XLogP1.93
TPSA62.22 Ų
H-Bond Donors2
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 ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[[1-(aminomethyl)cyclohexyl]methyl]-3-hydroxypyridine-4-carboxamide
CID 103970138
3-hydroxy-N-[[1-(2-methylpropyl)cyclopentyl]methyl]pyridine-4-carboxamide
CID 81443017
N-(3-chloropropyl)-3-hydroxypyridine-4-carboxamide
CID 114293613
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoropyridine-4-carboxamide
CID 114758967
3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 113359928
N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridine-4-carboxamide
CID 113359929
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-2-methylbenzamide
CID 114757948
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1H-pyrazole-5-carboxamide
CID 114757910
2,4-dibromo-N-[[1-(2-chloroethyl)cyclopropyl]methyl]benzamide
CID 107941471
N-(2-bromoethyl)-3-hydroxypyridine-4-carboxamide
CID 114307487
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-1-methylpyrazole-4-carboxamide
CID 114758126
N-[[1-(bromomethyl)cyclohexyl]methyl]-3-chloropyridine-4-carboxamide
CID 103969750

Frequently Asked Questions

What is the IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-hydroxypyridine-4-carboxamide?
The IUPAC name of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-hydroxypyridine-4-carboxamide (CID 114758192) is N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-hydroxypyridine-4-carboxamide.
What is the SMILES notation for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-hydroxypyridine-4-carboxamide?
The canonical SMILES for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-hydroxypyridine-4-carboxamide is O=C(NCC1(CCCl)CC1)c1ccncc1O.
What is the InChIKey of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-hydroxypyridine-4-carboxamide?
The InChIKey is AFDZENNMONLPGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-5-4-12(2-3-12)8-15-11(17)9-1-6-14-7-10(9)16/h1,6-7,16H,2-5,8H2,(H,15,17).
What are the key properties of N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-hydroxypyridine-4-carboxamide?
N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-hydroxypyridine-4-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 1.93, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-(2-chloroethyl)cyclopropyl]methyl]-3-hydroxypyridine-4-carboxamide is sourced from PubChem (CID 114758192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).