5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride

C12H18Cl2FN3O — CID 120576822

IUPAC5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride
SMILESCC1NCCCC1NC(=O)c1cncc(F)c1.Cl.Cl
InChIInChI=1S/C12H16FN3O.2ClH/c1-8-11(3-2-4-15-8)16-12(17)9-5-10(13)7-14-6-9;;/h5-8,11,15H,2-4H2,1H3,(H,16,17);2*1H
InChIKeyUQMQIEANWBDWPY-UHFFFAOYSA-N
MW310.20 g/mol
LogP1.93
Rot. Bonds2

About 5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride

5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride (PubChem CID 120576822) has the molecular formula C12H18Cl2FN3O and a molecular weight of 310.20 g/mol. Its IUPAC name is 5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride
PubChem CID120576822
Molecular FormulaC12H18Cl2FN3O
Molecular Weight310.20 g/mol
Exact Mass309.08
IUPAC Name5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride
SMILESCC1NCCCC1NC(=O)c1cncc(F)c1.Cl.Cl
InChIInChI=1S/C12H16FN3O.2ClH/c1-8-11(3-2-4-15-8)16-12(17)9-5-10(13)7-14-6-9;;/h5-8,11,15H,2-4H2,1H3,(H,16,17);2*1H
InChIKeyUQMQIEANWBDWPY-UHFFFAOYSA-N
XLogP1.93
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.20
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(5-fluoropyridine-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 104785617
N-[(2R,3R)-2-methylpiperidin-3-yl]benzamide
CID 124511336
4-bromo-3-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 114695015
2-(4-fluorobenzoyl)-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575467
6-fluoro-N-(2-methylpiperidin-3-yl)-1H-benzimidazole-4-carboxamide;dihydrochloride
CID 120576857
3-methyl-N-[(2S,3S)-2-methylpiperidin-3-yl]benzamide
CID 124515685
3-bromo-4-methyl-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120575414
2-fluoro-4,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120576347
4-bromo-3,5-dimethoxy-N-(2-methylpiperidin-3-yl)benzamide;hydrochloride
CID 120573672
2-(4-fluorophenyl)-N-(2-methylpiperidin-3-yl)triazole-4-carboxamide;hydrochloride
CID 120576916
2,4-dichloro-5-fluoro-N-(2-methylpiperidin-3-yl)benzamide
CID 120575501
N-(2-methylpiperidin-3-yl)-3-(trifluoromethyl)benzamide
CID 79041877

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride?
The IUPAC name of 5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride (CID 120576822) is 5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride.
What is the SMILES notation for 5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride?
The canonical SMILES for 5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride is CC1NCCCC1NC(=O)c1cncc(F)c1.Cl.Cl.
What is the InChIKey of 5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride?
The InChIKey is UQMQIEANWBDWPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FN3O.2ClH/c1-8-11(3-2-4-15-8)16-12(17)9-5-10(13)7-14-6-9;;/h5-8,11,15H,2-4H2,1H3,(H,16,17);2*1H.
What are the key properties of 5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride?
5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride has a molecular weight of 310.20 g/mol, XLogP of 1.93, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-(2-methylpiperidin-3-yl)pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 120576822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).