4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide

C13H17ClN2O2 — CID 115869317

IUPAC4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)c1cnccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-16(9-13(18)5-2-3-6-13)12(17)10-8-15-7-4-11(10)14/h4,7-8,18H,2-3,5-6,9H2,1H3
InChIKeyIMUPRYLTSZVECW-UHFFFAOYSA-N
MW268.74 g/mol
LogP2.11
Rot. Bonds3

About 4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide

4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide (PubChem CID 115869317) has the molecular formula C13H17ClN2O2 and a molecular weight of 268.74 g/mol. Its IUPAC name is 4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide
PubChem CID115869317
Molecular FormulaC13H17ClN2O2
Molecular Weight268.74 g/mol
Exact Mass268.10
IUPAC Name4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide
SMILESCN(CC1(O)CCCC1)C(=O)c1cnccc1Cl
InChIInChI=1S/C13H17ClN2O2/c1-16(9-13(18)5-2-3-6-13)12(17)10-8-15-7-4-11(10)14/h4,7-8,18H,2-3,5-6,9H2,1H3
InChIKeyIMUPRYLTSZVECW-UHFFFAOYSA-N
XLogP2.11
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.74
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(4-hydroxyoxan-4-yl)methyl]-N-methylpyridine-3-carboxamide
CID 114948839
3-(ethylamino)-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-4-carboxamide
CID 105071494
6-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyrazine-2-carboxamide
CID 106551582
1-[[(3-chloro-4-pyridinyl)-methylamino]methyl]cyclopentan-1-ol
CID 84595345
1-[[(3-chloro-4-pyridinyl)methyl-methylamino]methyl]cyclopentan-1-ol
CID 113321844
2-bromo-4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 103840263
4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-2-carboxamide
CID 113322275
2-amino-5-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylbenzamide
CID 114946703
4-chloro-N-methyl-N-[(2-methylcyclopropyl)methyl]pyridine-3-carboxamide
CID 81233422
4-chloro-N-methyl-N-(2-pyridin-4-ylethyl)pyridine-3-carboxamide
CID 81226415
5-amino-N-[(1-hydroxycyclopentyl)methyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 114951112
4-chloro-N-[(4-ethylphenyl)methyl]-N-methylpyridine-3-carboxamide
CID 81225270

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide (CID 115869317) is 4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide is CN(CC1(O)CCCC1)C(=O)c1cnccc1Cl.
What is the InChIKey of 4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide?
The InChIKey is IMUPRYLTSZVECW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17ClN2O2/c1-16(9-13(18)5-2-3-6-13)12(17)10-8-15-7-4-11(10)14/h4,7-8,18H,2-3,5-6,9H2,1H3.
What are the key properties of 4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide?
4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide has a molecular weight of 268.74 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(1-hydroxycyclopentyl)methyl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 115869317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).