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

C19H22N2O3 — CID 111445693

IUPACN-[(1-hydroxycyclobutyl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1cccc(Cn2cccc(C(=O)NCC3(O)CCC3)c2=O)c1
InChIInChI=1S/C19H22N2O3/c1-14-5-2-6-15(11-14)12-21-10-3-7-16(18(21)23)17(22)20-13-19(24)8-4-9-19/h2-3,5-7,10-11,24H,4,8-9,12-13H2,1H3,(H,20,22)
InChIKeyVTMHZGKKQCBKPM-UHFFFAOYSA-N
MW326.40 g/mol
LogP1.85
Rot. Bonds5

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

N-[(1-hydroxycyclobutyl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (PubChem CID 111445693) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(1-hydroxycyclobutyl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(1-hydroxycyclobutyl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
PubChem CID111445693
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[(1-hydroxycyclobutyl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
SMILESCc1cccc(Cn2cccc(C(=O)NCC3(O)CCC3)c2=O)c1
InChIInChI=1S/C19H22N2O3/c1-14-5-2-6-15(11-14)12-21-10-3-7-16(18(21)23)17(22)20-13-19(24)8-4-9-19/h2-3,5-7,10-11,24H,4,8-9,12-13H2,1H3,(H,20,22)
InChIKeyVTMHZGKKQCBKPM-UHFFFAOYSA-N
XLogP1.85
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxypropyl)-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110907215
N-[(1-ethylsulfonylazetidin-3-yl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 86804608
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
N-(2-hydroxyethyl)-N-[(1S,2R)-2-methylcyclopentyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 124882650
1-[(3-methylphenyl)methyl]-2-oxo-N-[3-(2,2,2-trifluoroethoxy)propyl]pyridine-3-carboxamide
CID 86845813
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-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 98845887
N-methyl-1-[(3-methylphenyl)methyl]-2-oxo-N-phenylpyridine-3-carboxamide
CID 7598420
N-(2-hydroxyethyl)-N-methyl-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide
CID 110907214
1-[(4-chlorophenyl)methyl]-N-(3-methylphenyl)-2-oxopyridine-3-carboxamide
CID 7598003

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(1-hydroxycyclobutyl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide (CID 111445693) is N-[(1-hydroxycyclobutyl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(1-hydroxycyclobutyl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(1-hydroxycyclobutyl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is Cc1cccc(Cn2cccc(C(=O)NCC3(O)CCC3)c2=O)c1.
What is the InChIKey of N-[(1-hydroxycyclobutyl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
The InChIKey is VTMHZGKKQCBKPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-14-5-2-6-15(11-14)12-21-10-3-7-16(18(21)23)17(22)20-13-19(24)8-4-9-19/h2-3,5-7,10-11,24H,4,8-9,12-13H2,1H3,(H,20,22).
What are the key properties of N-[(1-hydroxycyclobutyl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide?
N-[(1-hydroxycyclobutyl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 1.85, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycyclobutyl)methyl]-1-[(3-methylphenyl)methyl]-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 111445693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).