N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide

C22H23ClN2O3 — CID 23040785

IUPACN-(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccccc2Cl)c(CC(C)C)n1Cc1ccco1
InChIInChI=1S/C22H23ClN2O3/c1-14(2)11-19-21(22(27)24-18-9-5-4-8-17(18)23)20(26)12-15(3)25(19)13-16-7-6-10-28-16/h4-10,12,14H,11,13H2,1-3H3,(H,24,27)
InChIKeyIBZDOTQZLWDOFE-UHFFFAOYSA-N
MW398.89 g/mol
LogP4.90
Rot. Bonds6

About N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide

N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide (PubChem CID 23040785) has the molecular formula C22H23ClN2O3 and a molecular weight of 398.89 g/mol. Its IUPAC name is N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide
PubChem CID23040785
Molecular FormulaC22H23ClN2O3
Molecular Weight398.89 g/mol
Exact Mass398.14
IUPAC NameN-(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccccc2Cl)c(CC(C)C)n1Cc1ccco1
InChIInChI=1S/C22H23ClN2O3/c1-14(2)11-19-21(22(27)24-18-9-5-4-8-17(18)23)20(26)12-15(3)25(19)13-16-7-6-10-28-16/h4-10,12,14H,11,13H2,1-3H3,(H,24,27)
InChIKeyIBZDOTQZLWDOFE-UHFFFAOYSA-N
XLogP4.90
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide?
The IUPAC name of N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide (CID 23040785) is N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide?
The canonical SMILES for N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2ccccc2Cl)c(CC(C)C)n1Cc1ccco1.
What is the InChIKey of N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide?
The InChIKey is IBZDOTQZLWDOFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O3/c1-14(2)11-19-21(22(27)24-18-9-5-4-8-17(18)23)20(26)12-15(3)25(19)13-16-7-6-10-28-16/h4-10,12,14H,11,13H2,1-3H3,(H,24,27).
What are the key properties of N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide?
N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide has a molecular weight of 398.89 g/mol, XLogP of 4.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-2-(2-methylpropyl)-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 23040785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).