3-fluoro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide

C13H18FN3O2 — CID 134434700

IUPAC3-fluoro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide
SMILESCN1CCC(CO)(NC(=O)c2ncccc2F)CC1
InChIInChI=1S/C13H18FN3O2/c1-17-7-4-13(9-18,5-8-17)16-12(19)11-10(14)3-2-6-15-11/h2-3,6,18H,4-5,7-9H2,1H3,(H,16,19)
InChIKeyNFCVXMVGIUKMCI-UHFFFAOYSA-N
MW267.30 g/mol
LogP0.41
Rot. Bonds3

About 3-fluoro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide

3-fluoro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide (PubChem CID 134434700) has the molecular formula C13H18FN3O2 and a molecular weight of 267.30 g/mol. Its IUPAC name is 3-fluoro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide
PubChem CID134434700
Molecular FormulaC13H18FN3O2
Molecular Weight267.30 g/mol
Exact Mass267.14
IUPAC Name3-fluoro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide
SMILESCN1CCC(CO)(NC(=O)c2ncccc2F)CC1
InChIInChI=1S/C13H18FN3O2/c1-17-7-4-13(9-18,5-8-17)16-12(19)11-10(14)3-2-6-15-11/h2-3,6,18H,4-5,7-9H2,1H3,(H,16,19)
InChIKeyNFCVXMVGIUKMCI-UHFFFAOYSA-N
XLogP0.41
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.30
LogP ≤ 50.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide
CID 134434697
N-[1-(hydroxymethyl)cyclopropyl]-3-methylpyridine-2-carboxamide
CID 115877759
2-[[1-(hydroxymethyl)cyclohexyl]carbamoyl]pyridine-3-carboxylic acid
CID 63614286
N-[4-[(dimethylamino)methyl]-1-methylpiperidin-4-yl]-3-(trifluoromethyl)pyridine-2-carboxamide
CID 134435108
3-hydroxy-N-[1-(hydroxymethyl)cyclopentyl]pyridine-2-carboxamide
CID 55081325
3-amino-N-[1-(hydroxymethyl)cyclohexyl]pyridine-2-carboxamide
CID 113447709
3-fluoro-N-(2-methyl-2-phenylpropyl)pyridine-2-carboxamide
CID 110474878
3-fluoro-N-(2-methoxyethyl)pyridine-2-carboxamide
CID 110474737
N-[4-(2-hydroxyethyl)-1-methylpiperidin-4-yl]-2-phenylpyrimidine-4-carboxamide
CID 138016961
N-[(1R,5S)-5-amino-1-bicyclo[3.2.1]octanyl]-3-fluoropyridine-2-carboxamide
CID 70497277
2-[1-[(3-methylpyridine-2-carbonyl)amino]cyclopentyl]acetic acid
CID 64671017
N-cyclopentyl-3-fluoropyridine-2-carboxamide
CID 83407062

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of 3-fluoro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide (CID 134434700) is 3-fluoro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3-fluoro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for 3-fluoro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide is CN1CCC(CO)(NC(=O)c2ncccc2F)CC1.
What is the InChIKey of 3-fluoro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is NFCVXMVGIUKMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18FN3O2/c1-17-7-4-13(9-18,5-8-17)16-12(19)11-10(14)3-2-6-15-11/h2-3,6,18H,4-5,7-9H2,1H3,(H,16,19).
What are the key properties of 3-fluoro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide?
3-fluoro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 267.30 g/mol, XLogP of 0.41, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(hydroxymethyl)-1-methylpiperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 134434700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).