5-hydroxy-N-[(3S)-3-(4-methoxyphenyl)butyl]pyridine-3-carboxamide

C17H20N2O3 — CID 99812569

IUPAC5-hydroxy-N-[(3S)-3-(4-methoxyphenyl)butyl]pyridine-3-carboxamide
SMILESCOc1ccc([C@@H](C)CCNC(=O)c2cncc(O)c2)cc1
InChIInChI=1S/C17H20N2O3/c1-12(13-3-5-16(22-2)6-4-13)7-8-19-17(21)14-9-15(20)11-18-10-14/h3-6,9-12,20H,7-8H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyDFUFWQGPBBQVTC-LBPRGKRZSA-N
MW300.36 g/mol
LogP2.72
Rot. Bonds6

About 5-hydroxy-N-[(3S)-3-(4-methoxyphenyl)butyl]pyridine-3-carboxamide

5-hydroxy-N-[(3S)-3-(4-methoxyphenyl)butyl]pyridine-3-carboxamide (PubChem CID 99812569) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is 5-hydroxy-N-[(3S)-3-(4-methoxyphenyl)butyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name5-hydroxy-N-[(3S)-3-(4-methoxyphenyl)butyl]pyridine-3-carboxamide
PubChem CID99812569
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC Name5-hydroxy-N-[(3S)-3-(4-methoxyphenyl)butyl]pyridine-3-carboxamide
SMILESCOc1ccc([C@@H](C)CCNC(=O)c2cncc(O)c2)cc1
InChIInChI=1S/C17H20N2O3/c1-12(13-3-5-16(22-2)6-4-13)7-8-19-17(21)14-9-15(20)11-18-10-14/h3-6,9-12,20H,7-8H2,1-2H3,(H,19,21)/t12-/m0/s1
InChIKeyDFUFWQGPBBQVTC-LBPRGKRZSA-N
XLogP2.72
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-hydroxy-N-(3-methoxypropyl)pyridine-3-carboxamide
CID 63865493
5-(4-methoxyphenyl)-N-[2-(methylamino)ethyl]pyridine-3-carboxamide
CID 119500985
5-hydroxy-N-[5-[(5-hydroxypyridine-3-carbonyl)amino]pentyl]pyridine-3-carboxamide
CID 3309734
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-5-methylpyridine-3-carboxamide
CID 111477233
N-[3-(4-methoxyphenyl)butyl]-2-methyl-3-(methylamino)propanamide;hydrochloride
CID 119799837
5-hydroxy-N-(3-methoxy-2-methylpropyl)pyridine-3-carboxamide
CID 63858922
N-(2-acetamidoethyl)-5-hydroxypyridine-3-carboxamide;ethane
CID 143571890
5-hydroxy-N-[(3S)-3-(4-methylpiperazin-1-yl)butyl]pyridine-3-carboxamide
CID 125443479
5-N-(2-methoxyethyl)-3-N-(3-methylbutyl)pyridine-3,5-dicarboxamide
CID 109103452
2-amino-N-[3-(4-methoxyphenyl)butyl]-3-methylpentanamide
CID 119799848
5-hydroxy-N-propan-2-ylpyridine-3-carboxamide
CID 63864751
2-(4-aminophenyl)-N-[3-(4-methoxyphenyl)butyl]acetamide;hydrochloride
CID 119799811

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-N-[(3S)-3-(4-methoxyphenyl)butyl]pyridine-3-carboxamide?
The IUPAC name of 5-hydroxy-N-[(3S)-3-(4-methoxyphenyl)butyl]pyridine-3-carboxamide (CID 99812569) is 5-hydroxy-N-[(3S)-3-(4-methoxyphenyl)butyl]pyridine-3-carboxamide.
What is the SMILES notation for 5-hydroxy-N-[(3S)-3-(4-methoxyphenyl)butyl]pyridine-3-carboxamide?
The canonical SMILES for 5-hydroxy-N-[(3S)-3-(4-methoxyphenyl)butyl]pyridine-3-carboxamide is COc1ccc([C@@H](C)CCNC(=O)c2cncc(O)c2)cc1.
What is the InChIKey of 5-hydroxy-N-[(3S)-3-(4-methoxyphenyl)butyl]pyridine-3-carboxamide?
The InChIKey is DFUFWQGPBBQVTC-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-12(13-3-5-16(22-2)6-4-13)7-8-19-17(21)14-9-15(20)11-18-10-14/h3-6,9-12,20H,7-8H2,1-2H3,(H,19,21)/t12-/m0/s1.
What are the key properties of 5-hydroxy-N-[(3S)-3-(4-methoxyphenyl)butyl]pyridine-3-carboxamide?
5-hydroxy-N-[(3S)-3-(4-methoxyphenyl)butyl]pyridine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-N-[(3S)-3-(4-methoxyphenyl)butyl]pyridine-3-carboxamide is sourced from PubChem (CID 99812569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).