N-[(3R,4R)-1-(2-chloro-4-fluorobenzoyl)-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide

C18H17ClFN3O3 — CID 70737626

IUPACN-[(3R,4R)-1-(2-chloro-4-fluorobenzoyl)-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCN(C(=O)c2ccc(F)cc2Cl)C[C@H]1O)c1ccccn1
InChIInChI=1S/C18H17ClFN3O3/c19-13-9-11(20)4-5-12(13)18(26)23-8-6-14(16(24)10-23)22-17(25)15-3-1-2-7-21-15/h1-5,7,9,14,16,24H,6,8,10H2,(H,22,25)/t14-,16-/m1/s1
InChIKeyIJIXITDKZSUJOW-GDBMZVCRSA-N
MW377.80 g/mol
LogP1.88
Rot. Bonds3

About N-[(3R,4R)-1-(2-chloro-4-fluorobenzoyl)-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide

N-[(3R,4R)-1-(2-chloro-4-fluorobenzoyl)-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide (PubChem CID 70737626) has the molecular formula C18H17ClFN3O3 and a molecular weight of 377.80 g/mol. Its IUPAC name is N-[(3R,4R)-1-(2-chloro-4-fluorobenzoyl)-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[(3R,4R)-1-(2-chloro-4-fluorobenzoyl)-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide
PubChem CID70737626
Molecular FormulaC18H17ClFN3O3
Molecular Weight377.80 g/mol
Exact Mass377.09
IUPAC NameN-[(3R,4R)-1-(2-chloro-4-fluorobenzoyl)-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide
SMILESO=C(N[C@@H]1CCN(C(=O)c2ccc(F)cc2Cl)C[C@H]1O)c1ccccn1
InChIInChI=1S/C18H17ClFN3O3/c19-13-9-11(20)4-5-12(13)18(26)23-8-6-14(16(24)10-23)22-17(25)15-3-1-2-7-21-15/h1-5,7,9,14,16,24H,6,8,10H2,(H,22,25)/t14-,16-/m1/s1
InChIKeyIJIXITDKZSUJOW-GDBMZVCRSA-N
XLogP1.88
TPSA82.53 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.80
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

Befiradol
CID 9865384
(3-Chloro-4-fluorophenyl)-[4-[[(5-chloro-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10024776
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[[[5-(fluoromethyl)-2-pyridinyl]methylamino]methyl]piperidin-1-yl]methanone
CID 10364325
(3R)-3-amino-1-[4-(4-chloropyridine-2-carbonyl)piperazin-1-yl]-4-(2,4,5-trifluorophenyl)butan-1-one
CID 70684571
(3-Chloro-4-fluorophenyl)-[4-fluoro-4-[(3-pyridin-2-ylpropylamino)methyl]piperidin-1-yl]methanone
CID 132256713
N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-fluoropyridine-2-carboxamide
CID 72703206
2,3-Dichloro-N-[2-(4,4-difluoro-1-piperidyl)-2-(6-fluoro-3-pyridyl)ethyl]benzamide
CID 73672103
US9415055, (+)2-chloro-N-[2-(4,4-difluoro-1-piperidyl)-2-[6-(trifluoromethyl)-3-pyridyl]ethyl]-6-fluoro-benzamide
CID 73672582
N-[4-chloro-3-[[4-(cyclopentylcarbamoyl)piperidin-1-yl]methyl]phenyl]-5-(trifluoromethyl)pyridine-2-carboxamide
CID 118521962
3-chloro-N-(2-morpholin-4-yl-2-pyridin-3-ylethyl)benzamide
CID 3241051
(3-Chloro-4-fluorophenyl)-[4-[[(5-ethyl-2-pyridinyl)methylamino]methyl]-4-fluoropiperidin-1-yl]methanone
CID 10692801
2-[1-(2-chloro-6-fluorobenzyl)-3-oxo-2-piperazinyl]-N-[2-(2-pyridinyl)ethyl]acetamide
CID 16192304

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-1-(2-chloro-4-fluorobenzoyl)-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide?
The IUPAC name of N-[(3R,4R)-1-(2-chloro-4-fluorobenzoyl)-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide (CID 70737626) is N-[(3R,4R)-1-(2-chloro-4-fluorobenzoyl)-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide.
What is the SMILES notation for N-[(3R,4R)-1-(2-chloro-4-fluorobenzoyl)-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide?
The canonical SMILES for N-[(3R,4R)-1-(2-chloro-4-fluorobenzoyl)-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide is O=C(N[C@@H]1CCN(C(=O)c2ccc(F)cc2Cl)C[C@H]1O)c1ccccn1.
What is the InChIKey of N-[(3R,4R)-1-(2-chloro-4-fluorobenzoyl)-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide?
The InChIKey is IJIXITDKZSUJOW-GDBMZVCRSA-N. The full InChI is InChI=1S/C18H17ClFN3O3/c19-13-9-11(20)4-5-12(13)18(26)23-8-6-14(16(24)10-23)22-17(25)15-3-1-2-7-21-15/h1-5,7,9,14,16,24H,6,8,10H2,(H,22,25)/t14-,16-/m1/s1.
What are the key properties of N-[(3R,4R)-1-(2-chloro-4-fluorobenzoyl)-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide?
N-[(3R,4R)-1-(2-chloro-4-fluorobenzoyl)-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide has a molecular weight of 377.80 g/mol, XLogP of 1.88, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-1-(2-chloro-4-fluorobenzoyl)-3-hydroxypiperidin-4-yl]pyridine-2-carboxamide is sourced from PubChem (CID 70737626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).