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

C24H18Cl2N2O3 — CID 23040529

IUPACN,2-bis(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxopyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccccc2Cl)c(-c2ccccc2Cl)n1Cc1ccco1
InChIInChI=1S/C24H18Cl2N2O3/c1-15-13-21(29)22(24(30)27-20-11-5-4-10-19(20)26)23(17-8-2-3-9-18(17)25)28(15)14-16-7-6-12-31-16/h2-13H,14H2,1H3,(H,27,30)
InChIKeyLKFNFEWNELPVIB-UHFFFAOYSA-N
MW453.33 g/mol
LogP6.02
Rot. Bonds5

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

N,2-bis(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxopyridine-3-carboxamide (PubChem CID 23040529) has the molecular formula C24H18Cl2N2O3 and a molecular weight of 453.33 g/mol. Its IUPAC name is N,2-bis(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound NameN,2-bis(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxopyridine-3-carboxamide
PubChem CID23040529
Molecular FormulaC24H18Cl2N2O3
Molecular Weight453.33 g/mol
Exact Mass452.07
IUPAC NameN,2-bis(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxopyridine-3-carboxamide
SMILESCc1cc(=O)c(C(=O)Nc2ccccc2Cl)c(-c2ccccc2Cl)n1Cc1ccco1
InChIInChI=1S/C24H18Cl2N2O3/c1-15-13-21(29)22(24(30)27-20-11-5-4-10-19(20)26)23(17-8-2-3-9-18(17)25)28(15)14-16-7-6-12-31-16/h2-13H,14H2,1H3,(H,27,30)
InChIKeyLKFNFEWNELPVIB-UHFFFAOYSA-N
XLogP6.02
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.33
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,2-bis(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxopyridine-3-carboxamide?
The IUPAC name of N,2-bis(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxopyridine-3-carboxamide (CID 23040529) is N,2-bis(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for N,2-bis(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for N,2-bis(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxopyridine-3-carboxamide is Cc1cc(=O)c(C(=O)Nc2ccccc2Cl)c(-c2ccccc2Cl)n1Cc1ccco1.
What is the InChIKey of N,2-bis(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxopyridine-3-carboxamide?
The InChIKey is LKFNFEWNELPVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18Cl2N2O3/c1-15-13-21(29)22(24(30)27-20-11-5-4-10-19(20)26)23(17-8-2-3-9-18(17)25)28(15)14-16-7-6-12-31-16/h2-13H,14H2,1H3,(H,27,30).
What are the key properties of N,2-bis(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxopyridine-3-carboxamide?
N,2-bis(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxopyridine-3-carboxamide has a molecular weight of 453.33 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-bis(2-chlorophenyl)-1-(furan-2-ylmethyl)-6-methyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 23040529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).