(3R)-1-[4-(6-amino-5-chloro-3-pyridinyl)benzoyl]piperidine-3-carboxamide

C18H19ClN4O2 — CID 125436986

IUPAC(3R)-1-[4-(6-amino-5-chloro-3-pyridinyl)benzoyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3cnc(N)c(Cl)c3)cc2)C1
InChIInChI=1S/C18H19ClN4O2/c19-15-8-14(9-22-16(15)20)11-3-5-12(6-4-11)18(25)23-7-1-2-13(10-23)17(21)24/h3-6,8-9,13H,1-2,7,10H2,(H2,20,22)(H2,21,24)/t13-/m1/s1
InChIKeyOGYLQEGVMABLKP-CYBMUJFWSA-N
MW358.83 g/mol
LogP2.32
Rot. Bonds3

About (3R)-1-[4-(6-amino-5-chloro-3-pyridinyl)benzoyl]piperidine-3-carboxamide

(3R)-1-[4-(6-amino-5-chloro-3-pyridinyl)benzoyl]piperidine-3-carboxamide (PubChem CID 125436986) has the molecular formula C18H19ClN4O2 and a molecular weight of 358.83 g/mol. Its IUPAC name is (3R)-1-[4-(6-amino-5-chloro-3-pyridinyl)benzoyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-1-[4-(6-amino-5-chloro-3-pyridinyl)benzoyl]piperidine-3-carboxamide
PubChem CID125436986
Molecular FormulaC18H19ClN4O2
Molecular Weight358.83 g/mol
Exact Mass358.12
IUPAC Name(3R)-1-[4-(6-amino-5-chloro-3-pyridinyl)benzoyl]piperidine-3-carboxamide
SMILESNC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3cnc(N)c(Cl)c3)cc2)C1
InChIInChI=1S/C18H19ClN4O2/c19-15-8-14(9-22-16(15)20)11-3-5-12(6-4-11)18(25)23-7-1-2-13(10-23)17(21)24/h3-6,8-9,13H,1-2,7,10H2,(H2,20,22)(H2,21,24)/t13-/m1/s1
InChIKeyOGYLQEGVMABLKP-CYBMUJFWSA-N
XLogP2.32
TPSA102.31 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.83
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]benzoyl]piperidine-3-carboxamide
CID 58837263
1-(5,6-dichloropyridine-3-carbonyl)piperidine-3-carboxamide
CID 43079586
1-(4-amino-3,5-dichlorobenzoyl)piperidine-3-carboxamide
CID 82832980
1-(4-bromo-3-chlorobenzoyl)piperidine-3-carboxamide
CID 80961813
(3S)-1-(4-fluorobenzoyl)piperidine-3-carboxamide
CID 68704612
1-(4-amino-3-fluorobenzoyl)piperidine-3-carboxamide
CID 62678681
(3S)-1-[4-(6-methoxypyridazin-3-yl)benzoyl]piperidine-3-carboxamide
CID 126446549
1-[2-(3,4-dichlorophenyl)-1,3-thiazole-4-carbonyl]piperidine-3-carboxamide
CID 60600926
1-(3,5-dihydroxybenzoyl)piperidine-3-carboxamide
CID 103891600
(6-amino-5-chloro-3-pyridinyl)-(azetidin-1-yl)methanone
CID 130159370
[(3R)-1-[4-(2-methyl-4-pyridinyl)benzoyl]piperidin-3-yl]-pyrrolidin-1-ylmethanone
CID 126429371
1-[3-(7-fluoroquinolin-3-yl)benzoyl]piperidine-3-carboxamide
CID 162628143

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[4-(6-amino-5-chloro-3-pyridinyl)benzoyl]piperidine-3-carboxamide?
The IUPAC name of (3R)-1-[4-(6-amino-5-chloro-3-pyridinyl)benzoyl]piperidine-3-carboxamide (CID 125436986) is (3R)-1-[4-(6-amino-5-chloro-3-pyridinyl)benzoyl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-1-[4-(6-amino-5-chloro-3-pyridinyl)benzoyl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-1-[4-(6-amino-5-chloro-3-pyridinyl)benzoyl]piperidine-3-carboxamide is NC(=O)[C@@H]1CCCN(C(=O)c2ccc(-c3cnc(N)c(Cl)c3)cc2)C1.
What is the InChIKey of (3R)-1-[4-(6-amino-5-chloro-3-pyridinyl)benzoyl]piperidine-3-carboxamide?
The InChIKey is OGYLQEGVMABLKP-CYBMUJFWSA-N. The full InChI is InChI=1S/C18H19ClN4O2/c19-15-8-14(9-22-16(15)20)11-3-5-12(6-4-11)18(25)23-7-1-2-13(10-23)17(21)24/h3-6,8-9,13H,1-2,7,10H2,(H2,20,22)(H2,21,24)/t13-/m1/s1.
What are the key properties of (3R)-1-[4-(6-amino-5-chloro-3-pyridinyl)benzoyl]piperidine-3-carboxamide?
(3R)-1-[4-(6-amino-5-chloro-3-pyridinyl)benzoyl]piperidine-3-carboxamide has a molecular weight of 358.83 g/mol, XLogP of 2.32, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[4-(6-amino-5-chloro-3-pyridinyl)benzoyl]piperidine-3-carboxamide is sourced from PubChem (CID 125436986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).