3,5-difluoro-N-[4-[(3R)-piperidin-3-yl]phenyl]pyridine-2-carboxamide

C17H17F2N3O — CID 175718166

IUPAC3,5-difluoro-N-[4-[(3R)-piperidin-3-yl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc([C@H]2CCCNC2)cc1)c1ncc(F)cc1F
InChIInChI=1S/C17H17F2N3O/c18-13-8-15(19)16(21-10-13)17(23)22-14-5-3-11(4-6-14)12-2-1-7-20-9-12/h3-6,8,10,12,20H,1-2,7,9H2,(H,22,23)/t12-/m0/s1
InChIKeySENVQIHIRZVRSQ-LBPRGKRZSA-N
MW317.34 g/mol
LogP3.08
Rot. Bonds3

About 3,5-difluoro-N-[4-[(3R)-piperidin-3-yl]phenyl]pyridine-2-carboxamide

3,5-difluoro-N-[4-[(3R)-piperidin-3-yl]phenyl]pyridine-2-carboxamide (PubChem CID 175718166) has the molecular formula C17H17F2N3O and a molecular weight of 317.34 g/mol. Its IUPAC name is 3,5-difluoro-N-[4-[(3R)-piperidin-3-yl]phenyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,5-difluoro-N-[4-[(3R)-piperidin-3-yl]phenyl]pyridine-2-carboxamide
PubChem CID175718166
Molecular FormulaC17H17F2N3O
Molecular Weight317.34 g/mol
Exact Mass317.13
IUPAC Name3,5-difluoro-N-[4-[(3R)-piperidin-3-yl]phenyl]pyridine-2-carboxamide
SMILESO=C(Nc1ccc([C@H]2CCCNC2)cc1)c1ncc(F)cc1F
InChIInChI=1S/C17H17F2N3O/c18-13-8-15(19)16(21-10-13)17(23)22-14-5-3-11(4-6-14)12-2-1-7-20-9-12/h3-6,8,10,12,20H,1-2,7,9H2,(H,22,23)/t12-/m0/s1
InChIKeySENVQIHIRZVRSQ-LBPRGKRZSA-N
XLogP3.08
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.34
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-methyl-N-(4-piperidin-3-ylphenyl)pyrazine-2-carboxamide;hydrochloride
CID 67240535
N-(4-fluorophenyl)-6-piperidin-3-ylpyridine-3-carboxamide
CID 110085480
4-methyl-N-[4-[(3S)-piperidin-3-yl]phenyl]benzamide
CID 124566433
N-[4-[(3S)-piperidin-3-yl]phenyl]-6-propylpyridine-3-carboxamide
CID 67241110
4-chloro-N-[4-[(3S)-pyrrolidin-3-yl]phenyl]benzamide
CID 124561571
N-(4-methylphenyl)-4-piperidin-3-ylpyridine-2-carboxamide
CID 110257606
2-chloro-6-methyl-N-(4-piperidin-3-ylphenyl)pyridine-4-carboxamide
CID 87320848
N-[4-[(3S)-piperidin-3-yl]phenyl]-5-propylpyrazine-2-carboxamide;hydrochloride
CID 67241132
1-phenyl-3-[4-[(3R)-pyrrolidin-3-yl]phenyl]urea
CID 124566335
2,4-dichloro-N-[4-[(3R)-pyrrolidin-3-yl]phenyl]benzamide
CID 124566217
4-ethoxy-N-[4-[(3R)-piperidin-3-yl]phenyl]benzamide
CID 124566261
1-(3,4-dichlorophenyl)-3-(4-pyrrolidin-3-ylphenyl)urea;hydrochloride
CID 67238951

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[4-[(3R)-piperidin-3-yl]phenyl]pyridine-2-carboxamide?
The IUPAC name of 3,5-difluoro-N-[4-[(3R)-piperidin-3-yl]phenyl]pyridine-2-carboxamide (CID 175718166) is 3,5-difluoro-N-[4-[(3R)-piperidin-3-yl]phenyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,5-difluoro-N-[4-[(3R)-piperidin-3-yl]phenyl]pyridine-2-carboxamide?
The canonical SMILES for 3,5-difluoro-N-[4-[(3R)-piperidin-3-yl]phenyl]pyridine-2-carboxamide is O=C(Nc1ccc([C@H]2CCCNC2)cc1)c1ncc(F)cc1F.
What is the InChIKey of 3,5-difluoro-N-[4-[(3R)-piperidin-3-yl]phenyl]pyridine-2-carboxamide?
The InChIKey is SENVQIHIRZVRSQ-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17F2N3O/c18-13-8-15(19)16(21-10-13)17(23)22-14-5-3-11(4-6-14)12-2-1-7-20-9-12/h3-6,8,10,12,20H,1-2,7,9H2,(H,22,23)/t12-/m0/s1.
What are the key properties of 3,5-difluoro-N-[4-[(3R)-piperidin-3-yl]phenyl]pyridine-2-carboxamide?
3,5-difluoro-N-[4-[(3R)-piperidin-3-yl]phenyl]pyridine-2-carboxamide has a molecular weight of 317.34 g/mol, XLogP of 3.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[4-[(3R)-piperidin-3-yl]phenyl]pyridine-2-carboxamide is sourced from PubChem (CID 175718166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).