4-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide

C18H19F2N3O — CID 109205065

IUPAC4-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(NC2CCCCC2)ccn1
InChIInChI=1S/C18H19F2N3O/c19-15-7-6-13(10-16(15)20)23-18(24)17-11-14(8-9-21-17)22-12-4-2-1-3-5-12/h6-12H,1-5H2,(H,21,22)(H,23,24)
InChIKeyNBAVGCQKESGZNS-UHFFFAOYSA-N
MW331.37 g/mol
LogP4.36
Rot. Bonds4

About 4-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide

4-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide (PubChem CID 109205065) has the molecular formula C18H19F2N3O and a molecular weight of 331.37 g/mol. Its IUPAC name is 4-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name4-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
PubChem CID109205065
Molecular FormulaC18H19F2N3O
Molecular Weight331.37 g/mol
Exact Mass331.15
IUPAC Name4-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(NC2CCCCC2)ccn1
InChIInChI=1S/C18H19F2N3O/c19-15-7-6-13(10-16(15)20)23-18(24)17-11-14(8-9-21-17)22-12-4-2-1-3-5-12/h6-12H,1-5H2,(H,21,22)(H,23,24)
InChIKeyNBAVGCQKESGZNS-UHFFFAOYSA-N
XLogP4.36
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 ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromophenyl)-4-(cycloheptylamino)pyridine-2-carboxamide
CID 109217159
4-(cycloheptylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109217173
4-(cyclopentylamino)-N-(2,3,4-trifluorophenyl)pyridine-2-carboxamide
CID 109204356
6-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridazine-3-carboxamide
CID 109112976
4-(cyclohexylamino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109205031
N-(3-acetylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109204307
N-(2-chlorophenyl)-4-(cyclohexylamino)pyridine-2-carboxamide
CID 109204995
4-amino-N-(3,4-difluorophenyl)pyridine-2-carboxamide
CID 62154867
N-(3-acetamidophenyl)-4-(cyclopropylamino)pyridine-2-carboxamide
CID 109202020
N-(3,4-difluorophenyl)-4-pyrrolidin-1-ylpyridine-2-carboxamide
CID 109203985
4-(cycloheptylamino)-N-ethylpyridine-2-carboxamide
CID 43517906
4-(cyclooctylamino)-N-ethylpyridine-2-carboxamide
CID 43517873

Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide?
The IUPAC name of 4-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide (CID 109205065) is 4-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide.
What is the SMILES notation for 4-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide?
The canonical SMILES for 4-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide is O=C(Nc1ccc(F)c(F)c1)c1cc(NC2CCCCC2)ccn1.
What is the InChIKey of 4-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide?
The InChIKey is NBAVGCQKESGZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F2N3O/c19-15-7-6-13(10-16(15)20)23-18(24)17-11-14(8-9-21-17)22-12-4-2-1-3-5-12/h6-12H,1-5H2,(H,21,22)(H,23,24).
What are the key properties of 4-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide?
4-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide has a molecular weight of 331.37 g/mol, XLogP of 4.36, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylamino)-N-(3,4-difluorophenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109205065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).