N-[bis(4-methylphenyl)methyl]-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide

C22H20F2N2O2 — CID 155571812

IUPACN-[bis(4-methylphenyl)methyl]-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(NC(=O)c2ccc(C(F)F)[nH]c2=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H20F2N2O2/c1-13-3-7-15(8-4-13)19(16-9-5-14(2)6-10-16)26-22(28)17-11-12-18(20(23)24)25-21(17)27/h3-12,19-20H,1-2H3,(H,25,27)(H,26,28)
InChIKeyYISUNKBVUPGYCO-UHFFFAOYSA-N
MW382.41 g/mol
LogP4.45
Rot. Bonds5

About N-[bis(4-methylphenyl)methyl]-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide

N-[bis(4-methylphenyl)methyl]-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 155571812) has the molecular formula C22H20F2N2O2 and a molecular weight of 382.41 g/mol. Its IUPAC name is N-[bis(4-methylphenyl)methyl]-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[bis(4-methylphenyl)methyl]-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide
PubChem CID155571812
Molecular FormulaC22H20F2N2O2
Molecular Weight382.41 g/mol
Exact Mass382.15
IUPAC NameN-[bis(4-methylphenyl)methyl]-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1ccc(C(NC(=O)c2ccc(C(F)F)[nH]c2=O)c2ccc(C)cc2)cc1
InChIInChI=1S/C22H20F2N2O2/c1-13-3-7-15(8-4-13)19(16-9-5-14(2)6-10-16)26-22(28)17-11-12-18(20(23)24)25-21(17)27/h3-12,19-20H,1-2H3,(H,25,27)(H,26,28)
InChIKeyYISUNKBVUPGYCO-UHFFFAOYSA-N
XLogP4.45
TPSA61.96 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.41
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

6-(difluoromethyl)-2-oxo-N-propan-2-yl-1H-pyridine-3-carboxamide;6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxylic acid
CID 158741537
N-[(4-methoxyphenyl)-(4-methylphenyl)methyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464930
N-[bis(4-hydroxyphenyl)methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 155464294
N-[(4-chlorophenyl)-phenylmethyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 155464297
6-(fluoromethyl)-N-[(3-methylphenyl)-phenylmethyl]-2-oxo-1H-pyridine-3-carboxamide
CID 155571779
N-[(2S,3R)-4-hydroxy-3-methylbutan-2-yl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 97005058
N-[(S)-(2-methoxyphenyl)-phenylmethyl]-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 51591493
N-[bis(4-fluorophenyl)methyl]-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 90346975
2,4-dichloro-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 99951194
2,5-dimethyl-N-[(R)-(4-methylphenyl)-phenylmethyl]benzamide
CID 100743905
N-methyl-2-oxo-6-propan-2-yl-1H-pyridine-3-carboxamide
CID 171444803
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062

Frequently Asked Questions

What is the IUPAC name of N-[bis(4-methylphenyl)methyl]-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of N-[bis(4-methylphenyl)methyl]-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide (CID 155571812) is N-[bis(4-methylphenyl)methyl]-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for N-[bis(4-methylphenyl)methyl]-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for N-[bis(4-methylphenyl)methyl]-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide is Cc1ccc(C(NC(=O)c2ccc(C(F)F)[nH]c2=O)c2ccc(C)cc2)cc1.
What is the InChIKey of N-[bis(4-methylphenyl)methyl]-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is YISUNKBVUPGYCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F2N2O2/c1-13-3-7-15(8-4-13)19(16-9-5-14(2)6-10-16)26-22(28)17-11-12-18(20(23)24)25-21(17)27/h3-12,19-20H,1-2H3,(H,25,27)(H,26,28).
What are the key properties of N-[bis(4-methylphenyl)methyl]-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide?
N-[bis(4-methylphenyl)methyl]-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 382.41 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[bis(4-methylphenyl)methyl]-6-(difluoromethyl)-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 155571812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).