2-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxamide

C20H18F2N2O2 — CID 91004615

IUPAC2-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)N=C(c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H18F2N2O2/c1-12-14(20(25)24-18-5-3-4-6-19(18)26-2)9-10-17(23-12)15-8-7-13(21)11-16(15)22/h3-8,11H,9-10H2,1-2H3,(H,24,25)
InChIKeyBNWUVDNEXFKDOQ-UHFFFAOYSA-N
MW356.37 g/mol
LogP4.47
Rot. Bonds4

About 2-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxamide

2-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxamide (PubChem CID 91004615) has the molecular formula C20H18F2N2O2 and a molecular weight of 356.37 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxamide.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxamide
PubChem CID91004615
Molecular FormulaC20H18F2N2O2
Molecular Weight356.37 g/mol
Exact Mass356.13
IUPAC Name2-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxamide
SMILESCOc1ccccc1NC(=O)C1=C(C)N=C(c2ccc(F)cc2F)CC1
InChIInChI=1S/C20H18F2N2O2/c1-12-14(20(25)24-18-5-3-4-6-19(18)26-2)9-10-17(23-12)15-8-7-13(21)11-16(15)22/h3-8,11H,9-10H2,1-2H3,(H,24,25)
InChIKeyBNWUVDNEXFKDOQ-UHFFFAOYSA-N
XLogP4.47
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.37
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxamide?
The IUPAC name of 2-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxamide (CID 91004615) is 2-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxamide.
What is the SMILES notation for 2-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxamide?
The canonical SMILES for 2-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxamide is COc1ccccc1NC(=O)C1=C(C)N=C(c2ccc(F)cc2F)CC1.
What is the InChIKey of 2-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxamide?
The InChIKey is BNWUVDNEXFKDOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F2N2O2/c1-12-14(20(25)24-18-5-3-4-6-19(18)26-2)9-10-17(23-12)15-8-7-13(21)11-16(15)22/h3-8,11H,9-10H2,1-2H3,(H,24,25).
What are the key properties of 2-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxamide?
2-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxamide has a molecular weight of 356.37 g/mol, XLogP of 4.47, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-N-(2-methoxyphenyl)-6-methyl-3,4-dihydropyridine-5-carboxamide is sourced from PubChem (CID 91004615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).