3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide

C17H18F2N4O — CID 91778553

IUPAC3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCCN(Cc2cccnc2)C1)c1ncc(F)cc1F
InChIInChI=1S/C17H18F2N4O/c18-13-7-15(19)16(21-9-13)17(24)22-14-4-2-6-23(11-14)10-12-3-1-5-20-8-12/h1,3,5,7-9,14H,2,4,6,10-11H2,(H,22,24)
InChIKeyFBPALYPJGKCAFR-UHFFFAOYSA-N
MW332.35 g/mol
LogP2.15
Rot. Bonds4

About 3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide

3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide (PubChem CID 91778553) has the molecular formula C17H18F2N4O and a molecular weight of 332.35 g/mol. Its IUPAC name is 3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide
PubChem CID91778553
Molecular FormulaC17H18F2N4O
Molecular Weight332.35 g/mol
Exact Mass332.14
IUPAC Name3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide
SMILESO=C(NC1CCCN(Cc2cccnc2)C1)c1ncc(F)cc1F
InChIInChI=1S/C17H18F2N4O/c18-13-7-15(19)16(21-9-13)17(24)22-14-4-2-6-23(11-14)10-12-3-1-5-20-8-12/h1,3,5,7-9,14H,2,4,6,10-11H2,(H,22,24)
InChIKeyFBPALYPJGKCAFR-UHFFFAOYSA-N
XLogP2.15
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-difluorophenoxy)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 118778594
2-chloro-6-fluoro-3-methyl-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide
CID 124758694
3-methyl-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1,2-oxazole-5-carboxamide
CID 125440680
N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-1,2,4-triazole-5-carboxamide
CID 125441300
6-oxo-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]-1H-pyrazine-3-carboxamide
CID 124855297
1,5-dimethyl-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 172900155
5-fluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrimidin-2-amine
CID 122558298
1-(difluoromethyl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-3-carboxamide
CID 125173875
N-[2-[(3R)-1-benzylpyrrolidin-3-yl]ethyl]-3,5-difluoropyridine-2-carboxamide
CID 125165434
4-(2-hydroxyethylsulfanyl)-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]benzamide
CID 91788256
1-ethyl-3-(2-methylpropyl)-N-[(3S)-1-(pyridin-3-ylmethyl)piperidin-3-yl]pyrazole-5-carboxamide
CID 97133366
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(3R)-1-(pyridin-3-ylmethyl)piperidin-3-yl]acetamide
CID 125165036

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide?
The IUPAC name of 3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide (CID 91778553) is 3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide.
What is the SMILES notation for 3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide?
The canonical SMILES for 3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide is O=C(NC1CCCN(Cc2cccnc2)C1)c1ncc(F)cc1F.
What is the InChIKey of 3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide?
The InChIKey is FBPALYPJGKCAFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18F2N4O/c18-13-7-15(19)16(21-9-13)17(24)22-14-4-2-6-23(11-14)10-12-3-1-5-20-8-12/h1,3,5,7-9,14H,2,4,6,10-11H2,(H,22,24).
What are the key properties of 3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide?
3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide has a molecular weight of 332.35 g/mol, XLogP of 2.15, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine-2-carboxamide is sourced from PubChem (CID 91778553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).