N-cyclohexyl-5-(2,4-difluoroanilino)pyridine-3-carboxamide

C18H19F2N3O — CID 109226790

IUPACN-cyclohexyl-5-(2,4-difluoroanilino)pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cncc(Nc2ccc(F)cc2F)c1
InChIInChI=1S/C18H19F2N3O/c19-13-6-7-17(16(20)9-13)22-15-8-12(10-21-11-15)18(24)23-14-4-2-1-3-5-14/h6-11,14,22H,1-5H2,(H,23,24)
InChIKeySVDOOTRCBQDZRG-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.17
Rot. Bonds4

About N-cyclohexyl-5-(2,4-difluoroanilino)pyridine-3-carboxamide

N-cyclohexyl-5-(2,4-difluoroanilino)pyridine-3-carboxamide (PubChem CID 109226790) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is N-cyclohexyl-5-(2,4-difluoroanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-cyclohexyl-5-(2,4-difluoroanilino)pyridine-3-carboxamide
PubChem CID109226790
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC NameN-cyclohexyl-5-(2,4-difluoroanilino)pyridine-3-carboxamide
SMILESO=C(NC1CCCCC1)c1cncc(Nc2ccc(F)cc2F)c1
InChIInChI=1S/C18H19F2N3O/c19-13-6-7-17(16(20)9-13)22-15-8-12(10-21-11-15)18(24)23-14-4-2-1-3-5-14/h6-11,14,22H,1-5H2,(H,23,24)
InChIKeySVDOOTRCBQDZRG-UHFFFAOYSA-N
XLogP4.17
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.37
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-5-(2-fluoroanilino)pyridine-3-carboxamide
CID 109225985
N-cyclopropyl-5-(2,3,4-trifluoroanilino)pyridine-3-carboxamide
CID 109223746
5-anilino-N-cyclohexylpyridine-3-carboxamide
CID 109226711
N-cyclopentyl-5-(2,5-dichloroanilino)pyridine-3-carboxamide
CID 109226051
5-(4-bromo-2-methylanilino)-N-cyclohexylpyridine-3-carboxamide
CID 109226784
N-cycloheptyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109125066
5-(2,4-difluoroanilino)-N-[2-(4-fluorophenyl)ethyl]pyridine-3-carboxamide
CID 109236485
N-cyclohexyl-6-(2,4-difluoroanilino)pyridazine-3-carboxamide
CID 109113119
N-cycloheptyl-5-(2-propan-2-ylanilino)pyridine-3-carboxamide
CID 109239521
5-(cyclopropylamino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 109223922
N-(4-chlorophenyl)-5-(2,4-difluoroanilino)pyridine-3-carboxamide
CID 109244598
N-cyclohexyl-5-(3,4-dichloroanilino)pyridine-3-carboxamide
CID 109226796

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-5-(2,4-difluoroanilino)pyridine-3-carboxamide?
The IUPAC name of N-cyclohexyl-5-(2,4-difluoroanilino)pyridine-3-carboxamide (CID 109226790) is N-cyclohexyl-5-(2,4-difluoroanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-cyclohexyl-5-(2,4-difluoroanilino)pyridine-3-carboxamide?
The canonical SMILES for N-cyclohexyl-5-(2,4-difluoroanilino)pyridine-3-carboxamide is O=C(NC1CCCCC1)c1cncc(Nc2ccc(F)cc2F)c1.
What is the InChIKey of N-cyclohexyl-5-(2,4-difluoroanilino)pyridine-3-carboxamide?
The InChIKey is SVDOOTRCBQDZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c19-13-6-7-17(16(20)9-13)22-15-8-12(10-21-11-15)18(24)23-14-4-2-1-3-5-14/h6-11,14,22H,1-5H2,(H,23,24).
What are the key properties of N-cyclohexyl-5-(2,4-difluoroanilino)pyridine-3-carboxamide?
N-cyclohexyl-5-(2,4-difluoroanilino)pyridine-3-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 4.17, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-5-(2,4-difluoroanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109226790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).