N-butyl-4-(2,4-difluoroanilino)-N-methylpyridine-2-carboxamide

C17H19F2N3O — CID 109217787

IUPACN-butyl-4-(2,4-difluoroanilino)-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(Nc2ccc(F)cc2F)ccn1
InChIInChI=1S/C17H19F2N3O/c1-3-4-9-22(2)17(23)16-11-13(7-8-20-16)21-15-6-5-12(18)10-14(15)19/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyFBRZIQGNNMBTJC-UHFFFAOYSA-N
MW319.36 g/mol
LogP3.98
Rot. Bonds6

About N-butyl-4-(2,4-difluoroanilino)-N-methylpyridine-2-carboxamide

N-butyl-4-(2,4-difluoroanilino)-N-methylpyridine-2-carboxamide (PubChem CID 109217787) has the molecular formula C17H19F2N3O and a molecular weight of 319.36 g/mol. Its IUPAC name is N-butyl-4-(2,4-difluoroanilino)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(2,4-difluoroanilino)-N-methylpyridine-2-carboxamide
PubChem CID109217787
Molecular FormulaC17H19F2N3O
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC NameN-butyl-4-(2,4-difluoroanilino)-N-methylpyridine-2-carboxamide
SMILESCCCCN(C)C(=O)c1cc(Nc2ccc(F)cc2F)ccn1
InChIInChI=1S/C17H19F2N3O/c1-3-4-9-22(2)17(23)16-11-13(7-8-20-16)21-15-6-5-12(18)10-14(15)19/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21)
InChIKeyFBRZIQGNNMBTJC-UHFFFAOYSA-N
XLogP3.98
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide
CID 109202632
N-butyl-N-methyl-4-(3-methylanilino)pyridine-2-carboxamide
CID 109217712
N-butyl-N-methyl-4-(propan-2-ylamino)pyridine-2-carboxamide
CID 109201563
N-butyl-N-methyl-4-(prop-2-enylamino)pyridine-2-carboxamide
CID 109202347
N-butyl-2-(3-fluoroanilino)-N-methylpyrimidine-4-carboxamide
CID 109312393
4-(2-fluoroanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218327
N-butyl-N-methyl-4-(3-phenylpropylamino)pyridine-2-carboxamide
CID 109216678
N-butyl-N-methyl-4-(4-piperidin-1-ylanilino)pyridine-2-carboxamide
CID 109217771
4-amino-N-butyl-N-methylpyridine-2-carboxamide
CID 62153373
N-methyl-4-(methylamino)-N-propylpyridine-2-carboxamide
CID 62170346
N-butyl-2,4-difluoro-N-methylbenzamide
CID 86978137
N-butyl-4-[butyl(methyl)amino]-N-methylpyridine-2-carboxamide
CID 109217701

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2,4-difluoroanilino)-N-methylpyridine-2-carboxamide?
The IUPAC name of N-butyl-4-(2,4-difluoroanilino)-N-methylpyridine-2-carboxamide (CID 109217787) is N-butyl-4-(2,4-difluoroanilino)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for N-butyl-4-(2,4-difluoroanilino)-N-methylpyridine-2-carboxamide?
The canonical SMILES for N-butyl-4-(2,4-difluoroanilino)-N-methylpyridine-2-carboxamide is CCCCN(C)C(=O)c1cc(Nc2ccc(F)cc2F)ccn1.
What is the InChIKey of N-butyl-4-(2,4-difluoroanilino)-N-methylpyridine-2-carboxamide?
The InChIKey is FBRZIQGNNMBTJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19F2N3O/c1-3-4-9-22(2)17(23)16-11-13(7-8-20-16)21-15-6-5-12(18)10-14(15)19/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21).
What are the key properties of N-butyl-4-(2,4-difluoroanilino)-N-methylpyridine-2-carboxamide?
N-butyl-4-(2,4-difluoroanilino)-N-methylpyridine-2-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 3.98, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2,4-difluoroanilino)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 109217787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).