N-(6-chloro-3-pyridinyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide

C16H17ClN4O2 — CID 72877334

IUPACN-(6-chloro-3-pyridinyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)N1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C16H17ClN4O2/c17-14-4-3-13(11-19-14)20-15(22)21-8-5-16(23,6-9-21)12-2-1-7-18-10-12/h1-4,7,10-11,23H,5-6,8-9H2,(H,20,22)
InChIKeyRSJNIXLVJVEZTG-UHFFFAOYSA-N
MW332.79 g/mol
LogP2.65
Rot. Bonds2

About N-(6-chloro-3-pyridinyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide

N-(6-chloro-3-pyridinyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide (PubChem CID 72877334) has the molecular formula C16H17ClN4O2 and a molecular weight of 332.79 g/mol. Its IUPAC name is N-(6-chloro-3-pyridinyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-(6-chloro-3-pyridinyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
PubChem CID72877334
Molecular FormulaC16H17ClN4O2
Molecular Weight332.79 g/mol
Exact Mass332.10
IUPAC NameN-(6-chloro-3-pyridinyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
SMILESO=C(Nc1ccc(Cl)nc1)N1CCC(O)(c2cccnc2)CC1
InChIInChI=1S/C16H17ClN4O2/c17-14-4-3-13(11-19-14)20-15(22)21-8-5-16(23,6-9-21)12-2-1-7-18-10-12/h1-4,7,10-11,23H,5-6,8-9H2,(H,20,22)
InChIKeyRSJNIXLVJVEZTG-UHFFFAOYSA-N
XLogP2.65
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.79
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluorophenyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446453
N-(6-chloro-3-pyridinyl)-1,2,4,5-tetrahydro-3-benzazepine-3-carboxamide
CID 10214947
N-benzyl-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 1446435
cyclobutyl-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 95833425
9-hydroxy-9-pyridin-3-yl-3-azaspiro[5.5]undecane-3-carboxylic acid
CID 66755240
N-(6-chloro-3-pyridinyl)-3-cyclopropylpyrrolidine-1-carboxamide
CID 146084912
N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide
CID 125446192
1-methyl-4-pyridin-3-ylpiperidin-4-ol
CID 4172974
4-(3-chloro-2-pyridinyl)-N-[4-(4-hydroxyoxan-4-yl)phenyl]piperazine-1-carboxamide
CID 142110737
[2-(ethylamino)pyrimidin-5-yl]-(4-hydroxy-4-pyridin-3-ylpiperidin-1-yl)methanone
CID 72837169
N-(6-chloro-3-pyridinyl)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline-2-carboxamide
CID 47433118
4-hydroxy-N-(1-methyl-6-oxopiperidin-3-yl)-4-pyridin-3-ylpiperidine-1-carboxamide
CID 121497817

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-3-pyridinyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide?
The IUPAC name of N-(6-chloro-3-pyridinyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide (CID 72877334) is N-(6-chloro-3-pyridinyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide.
What is the SMILES notation for N-(6-chloro-3-pyridinyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide?
The canonical SMILES for N-(6-chloro-3-pyridinyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide is O=C(Nc1ccc(Cl)nc1)N1CCC(O)(c2cccnc2)CC1.
What is the InChIKey of N-(6-chloro-3-pyridinyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide?
The InChIKey is RSJNIXLVJVEZTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17ClN4O2/c17-14-4-3-13(11-19-14)20-15(22)21-8-5-16(23,6-9-21)12-2-1-7-18-10-12/h1-4,7,10-11,23H,5-6,8-9H2,(H,20,22).
What are the key properties of N-(6-chloro-3-pyridinyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide?
N-(6-chloro-3-pyridinyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide has a molecular weight of 332.79 g/mol, XLogP of 2.65, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-3-pyridinyl)-4-hydroxy-4-pyridin-3-ylpiperidine-1-carboxamide is sourced from PubChem (CID 72877334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).