N-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide

C17H20N2O3 — CID 110907215

IUPACN-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1cccc(Cn2cccc(C(=O)NCCCO)c2=O)c1
InChIInChI=1S/C17H20N2O3/c1-13-5-2-6-14(11-13)12-19-9-3-7-15(17(19)22)16(21)18-8-4-10-20/h2-3,5-7,9,11,20H,4,8,10,12H2,1H3,(H,18,21)
InChIKeyDNNPMWSSEDFDJS-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.32
Rot. Bonds6

About N-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide

N-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 110907215) has the molecular formula C17H20N2O3 and a molecular weight of 300.36 g/mol. Its IUPAC name is N-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID110907215
Molecular FormulaC17H20N2O3
Molecular Weight300.36 g/mol
Exact Mass300.15
IUPAC NameN-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1cccc(Cn2cccc(C(=O)NCCCO)c2=O)c1
InChIInChI=1S/C17H20N2O3/c1-13-5-2-6-14(11-13)12-19-9-3-7-15(17(19)22)16(21)18-8-4-10-20/h2-3,5-7,9,11,20H,4,8,10,12H2,1H3,(H,18,21)
InChIKeyDNNPMWSSEDFDJS-UHFFFAOYSA-N
XLogP1.32
TPSA71.33 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 ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-[(3-methylphenyl)methyl]-2-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxamide
CID 86845813
N-[(1-hydroxycyclobutyl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 111445693
N-(2-hydroxyethyl)-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110907214
tert-butyl N-[5-[[1-[(3-chlorophenyl)methyl]-2-oxopyridine-3-carbonyl]amino]pentyl]carbamate
CID 59362456
N-[(1-ethylsulfonylazetidin-3-yl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 86804608
1-[(3-methylphenyl)methyl]-N-(6-methyl-3-pyridinyl)-2-oxopyridine-3-carboxamide
CID 99609154
1-[(3-methylphenyl)methyl]-N-(3-methyl-2-pyridinyl)-2-oxopyridine-3-carboxamide
CID 7598392
N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-N-phenylpyridine-3-carboxamide
CID 7598420
N-(3,4-dimethoxyphenyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 7598355
1-[(3-methylphenyl)methyl]-N-(3-nitrophenyl)-2-oxopyridine-3-carboxamide
CID 7598295
1-[(3-methylphenyl)methyl]-2-oxo-N-(5-phenyl-1,3-thiazol-2-yl)pyridine-3-carboxamide
CID 86845826
3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 174323463

Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (CID 110907215) is N-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is Cc1cccc(Cn2cccc(C(=O)NCCCO)c2=O)c1.
What is the InChIKey of N-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is DNNPMWSSEDFDJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O3/c1-13-5-2-6-14(11-13)12-19-9-3-7-15(17(19)22)16(21)18-8-4-10-20/h2-3,5-7,9,11,20H,4,8,10,12H2,1H3,(H,18,21).
What are the key properties of N-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
N-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 300.36 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 110907215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).