6-[4-[3-(3-hydroxypiperidin-1-yl)propylcarbamoyl]phenyl]pyridine-3-carboxamide

C21H26N4O3 — CID 119064664

IUPAC6-[4-[3-(3-hydroxypiperidin-1-yl)propylcarbamoyl]phenyl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(-c2ccc(C(=O)NCCCN3CCCC(O)C3)cc2)nc1
InChIInChI=1S/C21H26N4O3/c22-20(27)17-8-9-19(24-13-17)15-4-6-16(7-5-15)21(28)23-10-2-12-25-11-1-3-18(26)14-25/h4-9,13,18,26H,1-3,10-12,14H2,(H2,22,27)(H,23,28)
InChIKeyIASCYZDHKCXGBB-UHFFFAOYSA-N
MW382.46 g/mol
LogP1.42
Rot. Bonds7

About 6-[4-[3-(3-hydroxypiperidin-1-yl)propylcarbamoyl]phenyl]pyridine-3-carboxamide

6-[4-[3-(3-hydroxypiperidin-1-yl)propylcarbamoyl]phenyl]pyridine-3-carboxamide (PubChem CID 119064664) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is 6-[4-[3-(3-hydroxypiperidin-1-yl)propylcarbamoyl]phenyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-[3-(3-hydroxypiperidin-1-yl)propylcarbamoyl]phenyl]pyridine-3-carboxamide
PubChem CID119064664
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC Name6-[4-[3-(3-hydroxypiperidin-1-yl)propylcarbamoyl]phenyl]pyridine-3-carboxamide
SMILESNC(=O)c1ccc(-c2ccc(C(=O)NCCCN3CCCC(O)C3)cc2)nc1
InChIInChI=1S/C21H26N4O3/c22-20(27)17-8-9-19(24-13-17)15-4-6-16(7-5-15)21(28)23-10-2-12-25-11-1-3-18(26)14-25/h4-9,13,18,26H,1-3,10-12,14H2,(H2,22,27)(H,23,28)
InChIKeyIASCYZDHKCXGBB-UHFFFAOYSA-N
XLogP1.42
TPSA108.55 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 51.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-[3-(3-hydroxypiperidin-1-yl)propylamino]pyridine-3-carboxamide
CID 131915518
6-(4-methylphenyl)-N-(3-pyrrolidin-1-ylpropyl)pyridine-3-carboxamide
CID 53035860
4-(6-amino-2-methyl-3-pyridinyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 126436627
4-fluoro-3-hydroxy-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 125170855
4-(6-oxo-1H-pyridazin-3-yl)-N-(3-piperidin-1-ylpropyl)benzamide
CID 59406782
(3R)-1-[2-[[4-(6-aminopyrimidin-4-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 126436789
4-chloro-N-[3-[(3R)-3-hydroxypiperidin-1-yl]propyl]-5-methyl-1H-pyrazole-3-carboxamide
CID 125155609
N-[3-(3-hydroxypiperidin-1-yl)propyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 131895752
6-[4-[(3R)-3-acetamidopiperidine-1-carbonyl]phenyl]pyridine-3-carboxamide
CID 126446174
3-(3-hydroxy-3-methylbutyl)-N-[3-[(3S)-3-hydroxypiperidin-1-yl]propyl]benzamide
CID 95873193
(3R)-1-[2-[[4-(2-methyltetrazol-5-yl)benzoyl]amino]ethyl]piperidine-3-carboxamide
CID 99944023
N-[3-(3-hydroxypyrrolidin-1-yl)propyl]-3,5-dimethylbenzamide
CID 142245443

Frequently Asked Questions

What is the IUPAC name of 6-[4-[3-(3-hydroxypiperidin-1-yl)propylcarbamoyl]phenyl]pyridine-3-carboxamide?
The IUPAC name of 6-[4-[3-(3-hydroxypiperidin-1-yl)propylcarbamoyl]phenyl]pyridine-3-carboxamide (CID 119064664) is 6-[4-[3-(3-hydroxypiperidin-1-yl)propylcarbamoyl]phenyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-[3-(3-hydroxypiperidin-1-yl)propylcarbamoyl]phenyl]pyridine-3-carboxamide?
The canonical SMILES for 6-[4-[3-(3-hydroxypiperidin-1-yl)propylcarbamoyl]phenyl]pyridine-3-carboxamide is NC(=O)c1ccc(-c2ccc(C(=O)NCCCN3CCCC(O)C3)cc2)nc1.
What is the InChIKey of 6-[4-[3-(3-hydroxypiperidin-1-yl)propylcarbamoyl]phenyl]pyridine-3-carboxamide?
The InChIKey is IASCYZDHKCXGBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c22-20(27)17-8-9-19(24-13-17)15-4-6-16(7-5-15)21(28)23-10-2-12-25-11-1-3-18(26)14-25/h4-9,13,18,26H,1-3,10-12,14H2,(H2,22,27)(H,23,28).
What are the key properties of 6-[4-[3-(3-hydroxypiperidin-1-yl)propylcarbamoyl]phenyl]pyridine-3-carboxamide?
6-[4-[3-(3-hydroxypiperidin-1-yl)propylcarbamoyl]phenyl]pyridine-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 1.42, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[3-(3-hydroxypiperidin-1-yl)propylcarbamoyl]phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 119064664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).