N-[(2,4-dichlorophenyl)methyl]-N,4-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide

C20H24Cl2N2O2 — CID 172656647

IUPACN-[(2,4-dichlorophenyl)methyl]-N,4-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccn(CCC(C)C)c(=O)c1C(=O)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H24Cl2N2O2/c1-13(2)7-9-24-10-8-14(3)18(20(24)26)19(25)23(4)12-15-5-6-16(21)11-17(15)22/h5-6,8,10-11,13H,7,9,12H2,1-4H3
InChIKeyCKCKBYKFVMHFKR-UHFFFAOYSA-N
MW395.33 g/mol
LogP4.78
Rot. Bonds6

About N-[(2,4-dichlorophenyl)methyl]-N,4-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide

N-[(2,4-dichlorophenyl)methyl]-N,4-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide (PubChem CID 172656647) has the molecular formula C20H24Cl2N2O2 and a molecular weight of 395.33 g/mol. Its IUPAC name is N-[(2,4-dichlorophenyl)methyl]-N,4-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2,4-dichlorophenyl)methyl]-N,4-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
PubChem CID172656647
Molecular FormulaC20H24Cl2N2O2
Molecular Weight395.33 g/mol
Exact Mass394.12
IUPAC NameN-[(2,4-dichlorophenyl)methyl]-N,4-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide
SMILESCc1ccn(CCC(C)C)c(=O)c1C(=O)N(C)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H24Cl2N2O2/c1-13(2)7-9-24-10-8-14(3)18(20(24)26)19(25)23(4)12-15-5-6-16(21)11-17(15)22/h5-6,8,10-11,13H,7,9,12H2,1-4H3
InChIKeyCKCKBYKFVMHFKR-UHFFFAOYSA-N
XLogP4.78
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.33
LogP ≤ 54.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N,4-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The IUPAC name of N-[(2,4-dichlorophenyl)methyl]-N,4-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide (CID 172656647) is N-[(2,4-dichlorophenyl)methyl]-N,4-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide.
What is the SMILES notation for N-[(2,4-dichlorophenyl)methyl]-N,4-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The canonical SMILES for N-[(2,4-dichlorophenyl)methyl]-N,4-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide is Cc1ccn(CCC(C)C)c(=O)c1C(=O)N(C)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[(2,4-dichlorophenyl)methyl]-N,4-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
The InChIKey is CKCKBYKFVMHFKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24Cl2N2O2/c1-13(2)7-9-24-10-8-14(3)18(20(24)26)19(25)23(4)12-15-5-6-16(21)11-17(15)22/h5-6,8,10-11,13H,7,9,12H2,1-4H3.
What are the key properties of N-[(2,4-dichlorophenyl)methyl]-N,4-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide?
N-[(2,4-dichlorophenyl)methyl]-N,4-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide has a molecular weight of 395.33 g/mol, XLogP of 4.78, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dichlorophenyl)methyl]-N,4-dimethyl-1-(3-methylbutyl)-2-oxopyridine-3-carboxamide is sourced from PubChem (CID 172656647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).