4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide

C12H15ClN2O2 — CID 114751793

IUPAC4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(CCO)CC1)c1cc(Cl)ccn1
InChIInChI=1S/C12H15ClN2O2/c13-9-1-5-14-10(7-9)11(17)15-8-12(2-3-12)4-6-16/h1,5,7,16H,2-4,6,8H2,(H,15,17)
InChIKeyPSOIUTYXEZTIJD-UHFFFAOYSA-N
MW254.72 g/mol
LogP1.63
Rot. Bonds5

About 4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide

4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide (PubChem CID 114751793) has the molecular formula C12H15ClN2O2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
PubChem CID114751793
Molecular FormulaC12H15ClN2O2
Molecular Weight254.72 g/mol
Exact Mass254.08
IUPAC Name4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
SMILESO=C(NCC1(CCO)CC1)c1cc(Cl)ccn1
InChIInChI=1S/C12H15ClN2O2/c13-9-1-5-14-10(7-9)11(17)15-8-12(2-3-12)4-6-16/h1,5,7,16H,2-4,6,8H2,(H,15,17)
InChIKeyPSOIUTYXEZTIJD-UHFFFAOYSA-N
XLogP1.63
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 ≤ 51.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]-2-iodobenzamide
CID 104957603
4-chloro-N-[(1,4-dimethylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 113364713
1-[[(4-chloropyridine-2-carbonyl)amino]methyl]-4-methylcyclohexane-1-carboxylic acid
CID 115440851
3,6-dichloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 114751194
2-(3,4-dichlorophenyl)-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]acetamide
CID 114751097
N-[[1-(2-bromoethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 114758379
3-bromo-5-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 104957596
4-chloro-N-[2-[[1-(dimethylamino)cycloheptyl]methylamino]-2-oxoethyl]pyridine-2-carboxamide
CID 24647121
4-chloro-N-[(4-piperidin-1-yloxan-4-yl)methyl]pyridine-2-carboxamide
CID 136524945
4-chloro-N-(2,2-dimethylbutyl)pyridine-2-carboxamide
CID 103461085
5-amino-2-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]benzamide
CID 114755616
4-chloro-N-hexylpyridine-2-carboxamide
CID 60656473

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide (CID 114751793) is 4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide is O=C(NCC1(CCO)CC1)c1cc(Cl)ccn1.
What is the InChIKey of 4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide?
The InChIKey is PSOIUTYXEZTIJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN2O2/c13-9-1-5-14-10(7-9)11(17)15-8-12(2-3-12)4-6-16/h1,5,7,16H,2-4,6,8H2,(H,15,17).
What are the key properties of 4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide?
4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide has a molecular weight of 254.72 g/mol, XLogP of 1.63, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[[1-(2-hydroxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 114751793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).