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

C16H17F2N3O — CID 109202632

IUPACN-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide
SMILESCCCCNC(=O)c1cc(Nc2ccc(F)cc2F)ccn1
InChIInChI=1S/C16H17F2N3O/c1-2-3-7-20-16(22)15-10-12(6-8-19-15)21-14-5-4-11(17)9-13(14)18/h4-6,8-10H,2-3,7H2,1H3,(H,19,21)(H,20,22)
InChIKeyQQZYCLZNHMTIEZ-UHFFFAOYSA-N
MW305.33 g/mol
LogP3.63
Rot. Bonds6

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

N-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide (PubChem CID 109202632) has the molecular formula C16H17F2N3O and a molecular weight of 305.33 g/mol. Its IUPAC name is N-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide
PubChem CID109202632
Molecular FormulaC16H17F2N3O
Molecular Weight305.33 g/mol
Exact Mass305.13
IUPAC NameN-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide
SMILESCCCCNC(=O)c1cc(Nc2ccc(F)cc2F)ccn1
InChIInChI=1S/C16H17F2N3O/c1-2-3-7-20-16(22)15-10-12(6-8-19-15)21-14-5-4-11(17)9-13(14)18/h4-6,8-10H,2-3,7H2,1H3,(H,19,21)(H,20,22)
InChIKeyQQZYCLZNHMTIEZ-UHFFFAOYSA-N
XLogP3.63
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2-fluoroanilino)-N-pentylpyridine-2-carboxamide
CID 109217523
N-butyl-4-(2,4-difluoroanilino)-N-methylpyridine-2-carboxamide
CID 109217787
N-butyl-4-[4-chloro-2-(trifluoromethyl)anilino]pyridine-2-carboxamide
CID 109202636
4-(2,4-difluoroanilino)-N-(2-morpholin-4-ylethyl)pyridine-2-carboxamide
CID 109207564
4-(2,4-difluoroanilino)-N-[2-(3-methoxyphenyl)ethyl]pyridine-2-carboxamide
CID 109214438
5-(2,4-difluoroanilino)-N-pentylpyrazine-2-carboxamide
CID 109288090
N-butyl-4-(2,6-dimethylanilino)pyridine-2-carboxamide
CID 109202562
4-(2,4-difluoroanilino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109222592
4-(2,4-dichloroanilino)-N-propylpyridine-2-carboxamide
CID 109201162
4-(2,3-dimethylanilino)-N-pentylpyridine-2-carboxamide
CID 109217517
N-butyl-4-(4-chloro-2,5-dimethoxyanilino)pyridine-2-carboxamide
CID 109202644
N-(2,4-difluorophenyl)-4-[3-(dimethylamino)propylamino]pyridine-2-carboxamide
CID 109208033

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide?
The IUPAC name of N-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide (CID 109202632) is N-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide?
The canonical SMILES for N-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide is CCCCNC(=O)c1cc(Nc2ccc(F)cc2F)ccn1.
What is the InChIKey of N-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide?
The InChIKey is QQZYCLZNHMTIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17F2N3O/c1-2-3-7-20-16(22)15-10-12(6-8-19-15)21-14-5-4-11(17)9-13(14)18/h4-6,8-10H,2-3,7H2,1H3,(H,19,21)(H,20,22).
What are the key properties of N-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide?
N-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide has a molecular weight of 305.33 g/mol, XLogP of 3.63, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2,4-difluoroanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109202632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).