N-[4-(4-hydroxyphenyl)butan-2-yl]-4-oxo-1H-pyridine-3-carboxamide

C16H18N2O3 — CID 103337657

IUPACN-[4-(4-hydroxyphenyl)butan-2-yl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCC(CCc1ccc(O)cc1)NC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C16H18N2O3/c1-11(2-3-12-4-6-13(19)7-5-12)18-16(21)14-10-17-9-8-15(14)20/h4-11,19H,2-3H2,1H3,(H,17,20)(H,18,21)
InChIKeyNPCGPVROEHZZFJ-UHFFFAOYSA-N
MW286.33 g/mol
LogP1.83
Rot. Bonds5

About N-[4-(4-hydroxyphenyl)butan-2-yl]-4-oxo-1H-pyridine-3-carboxamide

N-[4-(4-hydroxyphenyl)butan-2-yl]-4-oxo-1H-pyridine-3-carboxamide (PubChem CID 103337657) has the molecular formula C16H18N2O3 and a molecular weight of 286.33 g/mol. Its IUPAC name is N-[4-(4-hydroxyphenyl)butan-2-yl]-4-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[4-(4-hydroxyphenyl)butan-2-yl]-4-oxo-1H-pyridine-3-carboxamide
PubChem CID103337657
Molecular FormulaC16H18N2O3
Molecular Weight286.33 g/mol
Exact Mass286.13
IUPAC NameN-[4-(4-hydroxyphenyl)butan-2-yl]-4-oxo-1H-pyridine-3-carboxamide
SMILESCC(CCc1ccc(O)cc1)NC(=O)c1c[nH]ccc1=O
InChIInChI=1S/C16H18N2O3/c1-11(2-3-12-4-6-13(19)7-5-12)18-16(21)14-10-17-9-8-15(14)20/h4-11,19H,2-3H2,1H3,(H,17,20)(H,18,21)
InChIKeyNPCGPVROEHZZFJ-UHFFFAOYSA-N
XLogP1.83
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.33
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-amino-4-methylpentan-3-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 114178138
2-bromo-N-[4-(4-hydroxyphenyl)butan-2-yl]furan-3-carboxamide
CID 106853262
3-chloro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-4-carboxamide
CID 66484690
2-fluoro-N-[4-(4-hydroxyphenyl)butan-2-yl]pyridine-3-carboxamide
CID 107363208
N-(4-amino-1-methoxybutan-2-yl)-4-oxo-1H-pyridine-3-carboxamide
CID 106152482
3-amino-N-[4-(4-hydroxyphenyl)butan-2-yl]-2-methylpropanamide
CID 55104650
N-[(1Z)-1-amino-1-hydroxyiminopentan-2-yl]-4-oxo-1H-pyridine-3-carboxamide
CID 114039230
(2S)-4-methoxy-4-oxo-2-[(4-oxo-1H-pyridine-3-carbonyl)amino]butanoic acid
CID 114038684
3-amino-4-[4-(4-hydroxyphenyl)butan-2-ylamino]-4-oxobutanoic acid
CID 64896095
1-[(4-fluorophenyl)methyl]-3-[(2S)-4-(4-hydroxyphenyl)butan-2-yl]urea
CID 38204563
N-[(2S)-4-phenylbutan-2-yl]-2-sulfanylidene-1H-pyridine-3-carboxamide
CID 25475198
N-[3-[methyl(propan-2-yl)amino]propyl]-4-oxo-1H-pyridine-3-carboxamide
CID 106039021

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-hydroxyphenyl)butan-2-yl]-4-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[4-(4-hydroxyphenyl)butan-2-yl]-4-oxo-1H-pyridine-3-carboxamide (CID 103337657) is N-[4-(4-hydroxyphenyl)butan-2-yl]-4-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[4-(4-hydroxyphenyl)butan-2-yl]-4-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[4-(4-hydroxyphenyl)butan-2-yl]-4-oxo-1H-pyridine-3-carboxamide is CC(CCc1ccc(O)cc1)NC(=O)c1c[nH]ccc1=O.
What is the InChIKey of N-[4-(4-hydroxyphenyl)butan-2-yl]-4-oxo-1H-pyridine-3-carboxamide?
The InChIKey is NPCGPVROEHZZFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O3/c1-11(2-3-12-4-6-13(19)7-5-12)18-16(21)14-10-17-9-8-15(14)20/h4-11,19H,2-3H2,1H3,(H,17,20)(H,18,21).
What are the key properties of N-[4-(4-hydroxyphenyl)butan-2-yl]-4-oxo-1H-pyridine-3-carboxamide?
N-[4-(4-hydroxyphenyl)butan-2-yl]-4-oxo-1H-pyridine-3-carboxamide has a molecular weight of 286.33 g/mol, XLogP of 1.83, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-hydroxyphenyl)butan-2-yl]-4-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 103337657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).