N-[2-(cyclobutylamino)-4,5-difluorophenyl]-6-methylpyridazine-4-carboxamide

C16H16F2N4O — CID 135186364

IUPACN-[2-(cyclobutylamino)-4,5-difluorophenyl]-6-methylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(F)c(F)cc2NC2CCC2)cnn1
InChIInChI=1S/C16H16F2N4O/c1-9-5-10(8-19-22-9)16(23)21-15-7-13(18)12(17)6-14(15)20-11-3-2-4-11/h5-8,11,20H,2-4H2,1H3,(H,21,23)
InChIKeyFKZVAHSWSPHDKG-UHFFFAOYSA-N
MW318.33 g/mol
LogP3.28
Rot. Bonds4

About N-[2-(cyclobutylamino)-4,5-difluorophenyl]-6-methylpyridazine-4-carboxamide

N-[2-(cyclobutylamino)-4,5-difluorophenyl]-6-methylpyridazine-4-carboxamide (PubChem CID 135186364) has the molecular formula C16H16F2N4O and a molecular weight of 318.33 g/mol. Its IUPAC name is N-[2-(cyclobutylamino)-4,5-difluorophenyl]-6-methylpyridazine-4-carboxamide.

Molecular Properties

Compound NameN-[2-(cyclobutylamino)-4,5-difluorophenyl]-6-methylpyridazine-4-carboxamide
PubChem CID135186364
Molecular FormulaC16H16F2N4O
Molecular Weight318.33 g/mol
Exact Mass318.13
IUPAC NameN-[2-(cyclobutylamino)-4,5-difluorophenyl]-6-methylpyridazine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cc(F)c(F)cc2NC2CCC2)cnn1
InChIInChI=1S/C16H16F2N4O/c1-9-5-10(8-19-22-9)16(23)21-15-7-13(18)12(17)6-14(15)20-11-3-2-4-11/h5-8,11,20H,2-4H2,1H3,(H,21,23)
InChIKeyFKZVAHSWSPHDKG-UHFFFAOYSA-N
XLogP3.28
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 53.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(cyclopropylamino)-4-(trifluoromethyl)phenyl]-6-methylpyridazine-4-carboxamide
CID 135186383
5-[2-(cyclopropylamino)-4,5-difluorophenyl]-3-methylpyridazine-4-carboxamide
CID 170358947
6-[[2-(cyclopropylamino)-4,5-difluorophenyl]methyl]pyridazine-4-carboxamide
CID 170358965
N-ethyl-6-methylpyridazine-4-carboxamide
CID 126990058
3-(cyclopentylamino)-5-fluoro-4-methylbenzamide
CID 43735724
4-(cyclobutylamino)-3-fluoro-N-methylbenzamide
CID 174641609
5-(cycloheptylamino)-N-(2,4-dichlorophenyl)pyridine-3-carboxamide
CID 109239662
5-(cyclopropylamino)-N-(2,4-difluorophenyl)pyridine-3-carboxamide
CID 109223922
N-(5-chloro-2-methoxyphenyl)-5-(cyclopentylamino)pyridine-3-carboxamide
CID 109226185
N-(2-chlorophenyl)-5-(cyclopentylamino)pyridine-3-carboxamide
CID 109226175
2-(cyclohexylamino)-4,5-difluorobenzoic acid
CID 82933532
5-(cyclopentylamino)-N-[4-(diethylamino)-2-methylphenyl]pyridine-3-carboxamide
CID 109226245

Frequently Asked Questions

What is the IUPAC name of N-[2-(cyclobutylamino)-4,5-difluorophenyl]-6-methylpyridazine-4-carboxamide?
The IUPAC name of N-[2-(cyclobutylamino)-4,5-difluorophenyl]-6-methylpyridazine-4-carboxamide (CID 135186364) is N-[2-(cyclobutylamino)-4,5-difluorophenyl]-6-methylpyridazine-4-carboxamide.
What is the SMILES notation for N-[2-(cyclobutylamino)-4,5-difluorophenyl]-6-methylpyridazine-4-carboxamide?
The canonical SMILES for N-[2-(cyclobutylamino)-4,5-difluorophenyl]-6-methylpyridazine-4-carboxamide is Cc1cc(C(=O)Nc2cc(F)c(F)cc2NC2CCC2)cnn1.
What is the InChIKey of N-[2-(cyclobutylamino)-4,5-difluorophenyl]-6-methylpyridazine-4-carboxamide?
The InChIKey is FKZVAHSWSPHDKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16F2N4O/c1-9-5-10(8-19-22-9)16(23)21-15-7-13(18)12(17)6-14(15)20-11-3-2-4-11/h5-8,11,20H,2-4H2,1H3,(H,21,23).
What are the key properties of N-[2-(cyclobutylamino)-4,5-difluorophenyl]-6-methylpyridazine-4-carboxamide?
N-[2-(cyclobutylamino)-4,5-difluorophenyl]-6-methylpyridazine-4-carboxamide has a molecular weight of 318.33 g/mol, XLogP of 3.28, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(cyclobutylamino)-4,5-difluorophenyl]-6-methylpyridazine-4-carboxamide is sourced from PubChem (CID 135186364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).