5-chloro-N-[4-[[5-(difluoromethyl)-3-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

C19H23ClF2N4O — CID 121285981

IUPAC5-chloro-N-[4-[[5-(difluoromethyl)-3-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1cc(C(F)F)n(CC2CCC(NC(=O)c3cc(Cl)cnc3C)CC2)n1
InChIInChI=1S/C19H23ClF2N4O/c1-11-7-17(18(21)22)26(25-11)10-13-3-5-15(6-4-13)24-19(27)16-8-14(20)9-23-12(16)2/h7-9,13,15,18H,3-6,10H2,1-2H3,(H,24,27)
InChIKeyZTXINHVKKJRTRF-UHFFFAOYSA-N
MW396.87 g/mol
LogP4.47
Rot. Bonds5

About 5-chloro-N-[4-[[5-(difluoromethyl)-3-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

5-chloro-N-[4-[[5-(difluoromethyl)-3-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 121285981) has the molecular formula C19H23ClF2N4O and a molecular weight of 396.87 g/mol. Its IUPAC name is 5-chloro-N-[4-[[5-(difluoromethyl)-3-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[[5-(difluoromethyl)-3-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
PubChem CID121285981
Molecular FormulaC19H23ClF2N4O
Molecular Weight396.87 g/mol
Exact Mass396.15
IUPAC Name5-chloro-N-[4-[[5-(difluoromethyl)-3-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1cc(C(F)F)n(CC2CCC(NC(=O)c3cc(Cl)cnc3C)CC2)n1
InChIInChI=1S/C19H23ClF2N4O/c1-11-7-17(18(21)22)26(25-11)10-13-3-5-15(6-4-13)24-19(27)16-8-14(20)9-23-12(16)2/h7-9,13,15,18H,3-6,10H2,1-2H3,(H,24,27)
InChIKeyZTXINHVKKJRTRF-UHFFFAOYSA-N
XLogP4.47
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.87
LogP ≤ 54.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-N-[4-[[3-[6-(difluoromethyl)-3-pyridinyl]-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 146181074
5-chloro-2-methyl-N-[4-[(pyrimidin-2-ylamino)methyl]cyclohexyl]pyridine-3-carboxamide
CID 44814574
5-chloro-N-[4-[(3-fluoro-3,5,6-trimethyl-2-oxoindol-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 53341068
5-chloro-N-[4-[[(3R)-3-fluoro-3-methyl-2-oxoindol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 53341557
methyl 4-[(5-chloro-2-methylpyridine-3-carbonyl)amino]cyclohexane-1-carboxylate
CID 67185079
5-chloro-N-[4-[(3,3-dimethyl-2-oxopyrrolo[3,2-b]pyridin-1-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 53341070
5-chloro-N-[4-[(5'-fluoro-2'-oxospiro[cyclopropane-1,3'-indole]-1'-yl)methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 53308745
5-chloro-N-[4-[[3-(2,4-difluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 146172355
5-chloro-2-methyl-N-[4-[[2-oxo-3-[6-(trifluoromethyl)-3-pyridinyl]benzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172444
5-chloro-2-methyl-N-[4-[[3-(1-methylpyrazol-4-yl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]pyridine-3-carboxamide
CID 146172620
5-chloro-2-(difluoromethyl)-N-[4-[(2,3-dioxoindol-1-yl)methyl]cyclohexyl]pyridine-3-carboxamide
CID 163232574
5-chloro-N-[4-[[3-(4-cyano-3-fluorophenyl)-2-oxobenzimidazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
CID 175073711

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[[5-(difluoromethyl)-3-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[4-[[5-(difluoromethyl)-3-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (CID 121285981) is 5-chloro-N-[4-[[5-(difluoromethyl)-3-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[[5-(difluoromethyl)-3-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[[5-(difluoromethyl)-3-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is Cc1cc(C(F)F)n(CC2CCC(NC(=O)c3cc(Cl)cnc3C)CC2)n1.
What is the InChIKey of 5-chloro-N-[4-[[5-(difluoromethyl)-3-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The InChIKey is ZTXINHVKKJRTRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClF2N4O/c1-11-7-17(18(21)22)26(25-11)10-13-3-5-15(6-4-13)24-19(27)16-8-14(20)9-23-12(16)2/h7-9,13,15,18H,3-6,10H2,1-2H3,(H,24,27).
What are the key properties of 5-chloro-N-[4-[[5-(difluoromethyl)-3-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
5-chloro-N-[4-[[5-(difluoromethyl)-3-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 396.87 g/mol, XLogP of 4.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[[5-(difluoromethyl)-3-methylpyrazol-1-yl]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 121285981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).