N-benzyl-4-(3,4-difluoroanilino)-N-propan-2-ylpyridine-2-carboxamide

C22H21F2N3O — CID 109217237

IUPACN-benzyl-4-(3,4-difluoroanilino)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cc(Nc2ccc(F)c(F)c2)ccn1
InChIInChI=1S/C22H21F2N3O/c1-15(2)27(14-16-6-4-3-5-7-16)22(28)21-13-18(10-11-25-21)26-17-8-9-19(23)20(24)12-17/h3-13,15H,14H2,1-2H3,(H,25,26)
InChIKeySDHFVKJDJDTNNP-UHFFFAOYSA-N
MW381.43 g/mol
LogP5.15
Rot. Bonds6

About N-benzyl-4-(3,4-difluoroanilino)-N-propan-2-ylpyridine-2-carboxamide

N-benzyl-4-(3,4-difluoroanilino)-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 109217237) has the molecular formula C22H21F2N3O and a molecular weight of 381.43 g/mol. Its IUPAC name is N-benzyl-4-(3,4-difluoroanilino)-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-benzyl-4-(3,4-difluoroanilino)-N-propan-2-ylpyridine-2-carboxamide
PubChem CID109217237
Molecular FormulaC22H21F2N3O
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-benzyl-4-(3,4-difluoroanilino)-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)N(Cc1ccccc1)C(=O)c1cc(Nc2ccc(F)c(F)c2)ccn1
InChIInChI=1S/C22H21F2N3O/c1-15(2)27(14-16-6-4-3-5-7-16)22(28)21-13-18(10-11-25-21)26-17-8-9-19(23)20(24)12-17/h3-13,15H,14H2,1-2H3,(H,25,26)
InChIKeySDHFVKJDJDTNNP-UHFFFAOYSA-N
XLogP5.15
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.43
LogP ≤ 55.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-4-(cycloheptylamino)-N-propan-2-ylpyridine-2-carboxamide
CID 109217127
N-benzyl-N-propan-2-yl-4-(quinolin-8-ylamino)pyridine-2-carboxamide
CID 109217230
4-(3,4-difluoroanilino)-N-ethyl-N-phenylpyridine-2-carboxamide
CID 109220308
N-benzyl-N-propan-2-ylpyridine-2-carboxamide
CID 42778097
4-(3,4-difluoroanilino)-N-[2-(2-fluorophenyl)ethyl]pyridine-2-carboxamide
CID 109214014
N-benzyl-4-(N-ethylanilino)-N-propan-2-ylpyridine-2-carboxamide
CID 109217216
2-N-benzyl-4-N-butan-2-yl-2-N-propan-2-ylpyridine-2,4-dicarboxamide
CID 109080007
N-benzyl-6-(4-fluoroanilino)-N-propan-2-ylpyridazine-3-carboxamide
CID 109125125
N-benzyl-6-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyrimidine-4-carboxamide
CID 109348042
N-benzyl-4-[4-(dimethylamino)anilino]-N-ethylpyridine-2-carboxamide
CID 109212563
N-benzyl-2-[(2-fluorophenyl)methylamino]-N-propan-2-ylpyridine-4-carboxamide
CID 109170485
N-benzyl-2-(4-chloro-2-methylanilino)-N-propan-2-ylpyrimidine-4-carboxamide
CID 109311710

Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-(3,4-difluoroanilino)-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of N-benzyl-4-(3,4-difluoroanilino)-N-propan-2-ylpyridine-2-carboxamide (CID 109217237) is N-benzyl-4-(3,4-difluoroanilino)-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-benzyl-4-(3,4-difluoroanilino)-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-benzyl-4-(3,4-difluoroanilino)-N-propan-2-ylpyridine-2-carboxamide is CC(C)N(Cc1ccccc1)C(=O)c1cc(Nc2ccc(F)c(F)c2)ccn1.
What is the InChIKey of N-benzyl-4-(3,4-difluoroanilino)-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is SDHFVKJDJDTNNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F2N3O/c1-15(2)27(14-16-6-4-3-5-7-16)22(28)21-13-18(10-11-25-21)26-17-8-9-19(23)20(24)12-17/h3-13,15H,14H2,1-2H3,(H,25,26).
What are the key properties of N-benzyl-4-(3,4-difluoroanilino)-N-propan-2-ylpyridine-2-carboxamide?
N-benzyl-4-(3,4-difluoroanilino)-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 5.15, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-(3,4-difluoroanilino)-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 109217237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).