N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide

C20H26N2O2 — CID 23587977

IUPACN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide
SMILESCCCCn1c(C)c(C)cc(NC(=O)c2cc(C)ccc2C)c1=O
InChIInChI=1S/C20H26N2O2/c1-6-7-10-22-16(5)15(4)12-18(20(22)24)21-19(23)17-11-13(2)8-9-14(17)3/h8-9,11-12H,6-7,10H2,1-5H3,(H,21,23)
InChIKeyPXVUPABFQPYPOV-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.13
Rot. Bonds5

About N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide

N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide (PubChem CID 23587977) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide.

Molecular Properties

Compound NameN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide
PubChem CID23587977
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide
SMILESCCCCn1c(C)c(C)cc(NC(=O)c2cc(C)ccc2C)c1=O
InChIInChI=1S/C20H26N2O2/c1-6-7-10-22-16(5)15(4)12-18(20(22)24)21-19(23)17-11-13(2)8-9-14(17)3/h8-9,11-12H,6-7,10H2,1-5H3,(H,21,23)
InChIKeyPXVUPABFQPYPOV-UHFFFAOYSA-N
XLogP4.13
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2-methoxybenzamide
CID 23587986
1-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-3-phenylurea
CID 71660058
1-(2-bromophenyl)-3-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)urea
CID 22266501
4-[(2,5-dimethylbenzoyl)amino]-1-methyl-N-propylpyrazole-5-carboxamide
CID 19396369
2,5-dimethyl-N-(2-methylphenyl)benzamide
CID 925354
N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzamide
CID 2549224
(2S)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-3-hydroxypropanoic acid
CID 69474590
2,5-dimethyl-N-(2-propoxyphenyl)benzamide
CID 78772580
N-(2,5-dimethylphenyl)-1-hexyl-4-hydroxy-2-oxoquinoline-3-carboxamide
CID 54677434
N-(2-chlorophenyl)-2,5-dimethylbenzamide
CID 925340
4-N,5-N-bis(2,5-dimethylphenyl)-1-methylpyrazole-4,5-dicarboxamide
CID 29096951
methyl (2R)-2-[(1-butyl-5,6-dimethyl-2-oxopyridine-3-carbonyl)amino]-4-methylpentanoate
CID 69473584

Frequently Asked Questions

What is the IUPAC name of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide?
The IUPAC name of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide (CID 23587977) is N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide.
What is the SMILES notation for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide?
The canonical SMILES for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide is CCCCn1c(C)c(C)cc(NC(=O)c2cc(C)ccc2C)c1=O.
What is the InChIKey of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide?
The InChIKey is PXVUPABFQPYPOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-6-7-10-22-16(5)15(4)12-18(20(22)24)21-19(23)17-11-13(2)8-9-14(17)3/h8-9,11-12H,6-7,10H2,1-5H3,(H,21,23).
What are the key properties of N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide?
N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide has a molecular weight of 326.44 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-butyl-5,6-dimethyl-2-oxo-3-pyridinyl)-2,5-dimethylbenzamide is sourced from PubChem (CID 23587977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).