N,1-bis(2,3-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide;hydrochloride

C24H27ClN2O2 — CID 3062177

IUPACN,1-bis(2,3-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)c2c(C)n(-c3cccc(C)c3C)c(C)cc2=O)c1C.Cl
InChIInChI=1S/C24H26N2O2.ClH/c1-14-9-7-11-20(17(14)4)25-24(28)23-19(6)26(16(3)13-22(23)27)21-12-8-10-15(2)18(21)5;/h7-13H,1-6H3,(H,25,28);1H
InChIKeyTWAQKTPLEIKCIV-UHFFFAOYSA-N
MW410.95 g/mol
LogP5.36
Rot. Bonds3

About N,1-bis(2,3-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide;hydrochloride

N,1-bis(2,3-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide;hydrochloride (PubChem CID 3062177) has the molecular formula C24H27ClN2O2 and a molecular weight of 410.95 g/mol. Its IUPAC name is N,1-bis(2,3-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,1-bis(2,3-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide;hydrochloride
PubChem CID3062177
Molecular FormulaC24H27ClN2O2
Molecular Weight410.95 g/mol
Exact Mass410.18
IUPAC NameN,1-bis(2,3-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide;hydrochloride
SMILESCc1cccc(NC(=O)c2c(C)n(-c3cccc(C)c3C)c(C)cc2=O)c1C.Cl
InChIInChI=1S/C24H26N2O2.ClH/c1-14-9-7-11-20(17(14)4)25-24(28)23-19(6)26(16(3)13-22(23)27)21-12-8-10-15(2)18(21)5;/h7-13H,1-6H3,(H,25,28);1H
InChIKeyTWAQKTPLEIKCIV-UHFFFAOYSA-N
XLogP5.36
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.95
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 532117
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CID 66686
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CID 795944
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CID 3881876
CID 3881876
CID 296093
CID 296093
CID 1752804
CID 1752804
CID 66588
CID 66588
CID 939075
CID 939075
CID 944274
CID 944274
CID 947598
CID 947598

Frequently Asked Questions

What is the IUPAC name of N,1-bis(2,3-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide;hydrochloride?
The IUPAC name of N,1-bis(2,3-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide;hydrochloride (CID 3062177) is N,1-bis(2,3-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide;hydrochloride.
What is the SMILES notation for N,1-bis(2,3-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide;hydrochloride?
The canonical SMILES for N,1-bis(2,3-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide;hydrochloride is Cc1cccc(NC(=O)c2c(C)n(-c3cccc(C)c3C)c(C)cc2=O)c1C.Cl.
What is the InChIKey of N,1-bis(2,3-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide;hydrochloride?
The InChIKey is TWAQKTPLEIKCIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O2.ClH/c1-14-9-7-11-20(17(14)4)25-24(28)23-19(6)26(16(3)13-22(23)27)21-12-8-10-15(2)18(21)5;/h7-13H,1-6H3,(H,25,28);1H.
What are the key properties of N,1-bis(2,3-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide;hydrochloride?
N,1-bis(2,3-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide;hydrochloride has a molecular weight of 410.95 g/mol, XLogP of 5.36, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,1-bis(2,3-dimethylphenyl)-2,6-dimethyl-4-oxopyridine-3-carboxamide;hydrochloride is sourced from PubChem (CID 3062177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).