3-fluoro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]pyridine-4-carboxamide

C19H22FN3O — CID 99973037

IUPAC3-fluoro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H](c1ccccc1)N1CCCCC1)c1ccncc1F
InChIInChI=1S/C19H22FN3O/c20-17-13-21-10-9-16(17)19(24)22-14-18(15-7-3-1-4-8-15)23-11-5-2-6-12-23/h1,3-4,7-10,13,18H,2,5-6,11-12,14H2,(H,22,24)/t18-/m1/s1
InChIKeyIDRJTHGMNVMJNF-GOSISDBHSA-N
MW327.40 g/mol
LogP3.18
Rot. Bonds5

About 3-fluoro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]pyridine-4-carboxamide

3-fluoro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]pyridine-4-carboxamide (PubChem CID 99973037) has the molecular formula C19H22FN3O and a molecular weight of 327.40 g/mol. Its IUPAC name is 3-fluoro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-fluoro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]pyridine-4-carboxamide
PubChem CID99973037
Molecular FormulaC19H22FN3O
Molecular Weight327.40 g/mol
Exact Mass327.17
IUPAC Name3-fluoro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]pyridine-4-carboxamide
SMILESO=C(NC[C@H](c1ccccc1)N1CCCCC1)c1ccncc1F
InChIInChI=1S/C19H22FN3O/c20-17-13-21-10-9-16(17)19(24)22-14-18(15-7-3-1-4-8-15)23-11-5-2-6-12-23/h1,3-4,7-10,13,18H,2,5-6,11-12,14H2,(H,22,24)/t18-/m1/s1
InChIKeyIDRJTHGMNVMJNF-GOSISDBHSA-N
XLogP3.18
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.40
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-fluoro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2R)-2-(azepan-1-yl)-2-phenylethyl]-3-chloropyridine-4-carboxamide
CID 125168048
N-[2-(azepan-1-yl)-2-phenylethyl]-3-methylpyridine-4-carboxamide
CID 131940299
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]-3-methylpyridine-4-carboxamide
CID 118794898
2,6-difluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51931088
2-fluoro-N-[(2S)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951537
2-fluoro-N-[(2R)-2-(4-methylphenyl)-2-piperidin-1-ylethyl]benzamide
CID 34951546
3-fluoro-N-(2-methyl-3-piperidin-1-ylpropyl)pyridine-4-carboxamide
CID 115646380
2-chloro-4-fluoro-N-[(2S)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 26007854
N-[2-(4-fluorophenyl)-2-pyrrolidin-1-ylethyl]pyridine-3-carboxamide
CID 84506470
N-[(2R)-2-[4-(dimethylamino)phenyl]-2-pyrrolidin-1-ylethyl]-2-fluorobenzamide
CID 7496319
3,4-difluoro-N-[(2R)-2-phenyl-2-pyrrolidin-1-ylethyl]benzamide
CID 51710589
N-[2-(azepan-1-yl)-2-phenylethyl]-4-methyl-2-pyridin-3-ylpyrimidine-5-carboxamide
CID 131893516

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]pyridine-4-carboxamide?
The IUPAC name of 3-fluoro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]pyridine-4-carboxamide (CID 99973037) is 3-fluoro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]pyridine-4-carboxamide.
What is the SMILES notation for 3-fluoro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]pyridine-4-carboxamide?
The canonical SMILES for 3-fluoro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]pyridine-4-carboxamide is O=C(NC[C@H](c1ccccc1)N1CCCCC1)c1ccncc1F.
What is the InChIKey of 3-fluoro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]pyridine-4-carboxamide?
The InChIKey is IDRJTHGMNVMJNF-GOSISDBHSA-N. The full InChI is InChI=1S/C19H22FN3O/c20-17-13-21-10-9-16(17)19(24)22-14-18(15-7-3-1-4-8-15)23-11-5-2-6-12-23/h1,3-4,7-10,13,18H,2,5-6,11-12,14H2,(H,22,24)/t18-/m1/s1.
What are the key properties of 3-fluoro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]pyridine-4-carboxamide?
3-fluoro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]pyridine-4-carboxamide has a molecular weight of 327.40 g/mol, XLogP of 3.18, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[(2S)-2-phenyl-2-piperidin-1-ylethyl]pyridine-4-carboxamide is sourced from PubChem (CID 99973037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).