N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide

C18H22N2O3 — CID 71569515

IUPACN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide
SMILESCc1cc(C)c(CNC(=O)c2ccc(C(C)(C)O)cc2)c(=O)[nH]1
InChIInChI=1S/C18H22N2O3/c1-11-9-12(2)20-17(22)15(11)10-19-16(21)13-5-7-14(8-6-13)18(3,4)23/h5-9,23H,10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyKKPOVHSCRRVNBB-UHFFFAOYSA-N
MW314.39 g/mol
LogP2.15
Rot. Bonds4

About N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide (PubChem CID 71569515) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide
PubChem CID71569515
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC NameN-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide
SMILESCc1cc(C)c(CNC(=O)c2ccc(C(C)(C)O)cc2)c(=O)[nH]1
InChIInChI=1S/C18H22N2O3/c1-11-9-12(2)20-17(22)15(11)10-19-16(21)13-5-7-14(8-6-13)18(3,4)23/h5-9,23H,10H2,1-4H3,(H,19,21)(H,20,22)
InChIKeyKKPOVHSCRRVNBB-UHFFFAOYSA-N
XLogP2.15
TPSA82.19 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-phenylacetamide
CID 71901607
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-ethylbutanamide
CID 84559992
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 17479318
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-[[(E)-2-phenylethenyl]sulfonylamino]benzamide
CID 41283239
2-methylbutan-2-yl N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]carbamate
CID 126605003
4-chloro-N-[(4,6-dimethyl-2-sulfanylidene-1H-pyridin-3-yl)methyl]benzamide
CID 672153
3-chloro-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylbenzamide
CID 140752518
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1S)-1-phenylethyl]benzamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2,6-dimethyl-4-[(1R)-1-phenylethyl]benzamide
CID 162163581
2-(2,6-dichlorophenyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]acetamide
CID 17405202
3-amino-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]pyrazine-2-carboxamide
CID 41416693
6-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylamino]-N-(2-methoxyethyl)pyridine-3-carboxamide
CID 133345531
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 87043792

Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide?
The IUPAC name of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide (CID 71569515) is N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide.
What is the SMILES notation for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide?
The canonical SMILES for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide is Cc1cc(C)c(CNC(=O)c2ccc(C(C)(C)O)cc2)c(=O)[nH]1.
What is the InChIKey of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide?
The InChIKey is KKPOVHSCRRVNBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3/c1-11-9-12(2)20-17(22)15(11)10-19-16(21)13-5-7-14(8-6-13)18(3,4)23/h5-9,23H,10H2,1-4H3,(H,19,21)(H,20,22).
What are the key properties of N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide?
N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide has a molecular weight of 314.39 g/mol, XLogP of 2.15, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-4-(2-hydroxypropan-2-yl)benzamide is sourced from PubChem (CID 71569515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).