N-[(3S,4S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-4-carboxamide

C19H22FN3O3 — CID 164633017

IUPACN-[(3S,4S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-4-carboxamide
SMILESCOc1cc(CN2CC[C@H](NC(=O)c3ccncc3)[C@@H](O)C2)ccc1F
InChIInChI=1S/C19H22FN3O3/c1-26-18-10-13(2-3-15(18)20)11-23-9-6-16(17(24)12-23)22-19(25)14-4-7-21-8-5-14/h2-5,7-8,10,16-17,24H,6,9,11-12H2,1H3,(H,22,25)/t16-,17-/m0/s1
InChIKeyIHACEKHNSOBTTE-IRXDYDNUSA-N
MW359.40 g/mol
LogP1.59
Rot. Bonds5

About N-[(3S,4S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-4-carboxamide

N-[(3S,4S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-4-carboxamide (PubChem CID 164633017) has the molecular formula C19H22FN3O3 and a molecular weight of 359.40 g/mol. Its IUPAC name is N-[(3S,4S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-4-carboxamide.

Molecular Properties

Compound NameN-[(3S,4S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-4-carboxamide
PubChem CID164633017
Molecular FormulaC19H22FN3O3
Molecular Weight359.40 g/mol
Exact Mass359.16
IUPAC NameN-[(3S,4S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-4-carboxamide
SMILESCOc1cc(CN2CC[C@H](NC(=O)c3ccncc3)[C@@H](O)C2)ccc1F
InChIInChI=1S/C19H22FN3O3/c1-26-18-10-13(2-3-15(18)20)11-23-9-6-16(17(24)12-23)22-19(25)14-4-7-21-8-5-14/h2-5,7-8,10,16-17,24H,6,9,11-12H2,1H3,(H,22,25)/t16-,17-/m0/s1
InChIKeyIHACEKHNSOBTTE-IRXDYDNUSA-N
XLogP1.59
TPSA74.69 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3S,4S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]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-[(3S,4S)-1-[(3-chloro-4-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-3-carboxamide
CID 164633693
N-[(3R,4R)-3-hydroxy-1-[(2-methyl-1,3-thiazol-4-yl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 118762726
(3R,4R)-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyethylamino)piperidin-3-ol
CID 46960615
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]pyridine-4-carboxamide
CID 51239202
[4-[(3-fluoro-4-methoxyphenyl)methyl]piperazin-1-yl]-pyridin-4-ylmethanone
CID 51189808
N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]-4-(5-methylpyrazol-1-yl)benzamide
CID 55957745
N-[(3R,4R)-1-[(4-ethylphenyl)methyl]-3-hydroxypiperidin-4-yl]pyrazine-2-carboxamide
CID 70706579
(4aS,8aS)-7-[(4-fluoro-3-methoxyphenyl)methyl]-1-methyl-3,4,5,6,8,8a-hexahydro-2H-1,7-naphthyridine-4a-carboxylic acid
CID 134699364
4-(dimethylamino)-N-[1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-4-yl]benzamide
CID 55957357
N-[1-[(3,4-difluorophenyl)methyl]piperidin-4-yl]-4-ethoxy-3-methoxybenzamide
CID 55837219
(3S,4S)-N-cyclopropyl-1-[(4-fluoro-3-methoxyphenyl)methyl]-4-(hydroxymethyl)pyrrolidine-3-carboxamide
CID 110203656
1-[(3-fluoro-4-methoxyphenyl)methyl]piperidin-3-ol
CID 24904753

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-4-carboxamide?
The IUPAC name of N-[(3S,4S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-4-carboxamide (CID 164633017) is N-[(3S,4S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-4-carboxamide.
What is the SMILES notation for N-[(3S,4S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-4-carboxamide?
The canonical SMILES for N-[(3S,4S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-4-carboxamide is COc1cc(CN2CC[C@H](NC(=O)c3ccncc3)[C@@H](O)C2)ccc1F.
What is the InChIKey of N-[(3S,4S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-4-carboxamide?
The InChIKey is IHACEKHNSOBTTE-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H22FN3O3/c1-26-18-10-13(2-3-15(18)20)11-23-9-6-16(17(24)12-23)22-19(25)14-4-7-21-8-5-14/h2-5,7-8,10,16-17,24H,6,9,11-12H2,1H3,(H,22,25)/t16-,17-/m0/s1.
What are the key properties of N-[(3S,4S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-4-carboxamide?
N-[(3S,4S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-4-carboxamide has a molecular weight of 359.40 g/mol, XLogP of 1.59, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4S)-1-[(4-fluoro-3-methoxyphenyl)methyl]-3-hydroxypiperidin-4-yl]pyridine-4-carboxamide is sourced from PubChem (CID 164633017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).