3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyridine-4-carboxamide

C13H17FN2O2 — CID 115362736

IUPAC3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCC1(CO)CCCC1)c1ccncc1F
InChIInChI=1S/C13H17FN2O2/c14-11-7-15-6-3-10(11)12(18)16-8-13(9-17)4-1-2-5-13/h3,6-7,17H,1-2,4-5,8-9H2,(H,16,18)
InChIKeyZQOKLRBZGZRNKO-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.50
Rot. Bonds4

About 3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyridine-4-carboxamide

3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyridine-4-carboxamide (PubChem CID 115362736) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyridine-4-carboxamide
PubChem CID115362736
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyridine-4-carboxamide
SMILESO=C(NCC1(CO)CCCC1)c1ccncc1F
InChIInChI=1S/C13H17FN2O2/c14-11-7-15-6-3-10(11)12(18)16-8-13(9-17)4-1-2-5-13/h3,6-7,17H,1-2,4-5,8-9H2,(H,16,18)
InChIKeyZQOKLRBZGZRNKO-UHFFFAOYSA-N
XLogP1.50
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(chloromethyl)cyclohexyl]methyl]-3-fluoropyridine-4-carboxamide
CID 113359929
N-[[1-(2-aminoethyl)cyclopropyl]methyl]-3-fluoropyridine-4-carboxamide
CID 114758967
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-3-methoxypyridine-4-carboxamide
CID 105063923
4-chloro-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115362566
3-fluoro-N-[(4-hydroxyoxan-4-yl)methyl]pyridine-4-carboxamide
CID 79039193
2,3-difluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 113293749
4-amino-2-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]benzamide
CID 115357733
1-[(3-fluoropyridine-4-carbonyl)amino]cycloheptane-1-carboxylic acid
CID 64950656
3-[[1-(hydroxymethyl)cyclohexyl]methylamino]pyridine-4-carboxylic acid
CID 103968372
3-fluoro-N-(3-hydroxypropyl)pyridine-4-carboxamide
CID 64950514
N-[[1-(hydroxymethyl)cyclobutyl]methyl]pyrazine-2-carboxamide
CID 91954428
3-chloro-N-[[1-(chloromethyl)cyclohexyl]methyl]pyridine-4-carboxamide
CID 113359928

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyridine-4-carboxamide (CID 115362736) is 3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyridine-4-carboxamide is O=C(NCC1(CO)CCCC1)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyridine-4-carboxamide?
The InChIKey is ZQOKLRBZGZRNKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c14-11-7-15-6-3-10(11)12(18)16-8-13(9-17)4-1-2-5-13/h3,6-7,17H,1-2,4-5,8-9H2,(H,16,18).
What are the key properties of 3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyridine-4-carboxamide?
3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyridine-4-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 1.50, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[[1-(hydroxymethyl)cyclopentyl]methyl]pyridine-4-carboxamide is sourced from PubChem (CID 115362736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).