5-chloro-N-[4-[[(5-fluoro-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

C20H24ClFN4O — CID 59186819

IUPAC5-chloro-N-[4-[[(5-fluoro-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1cc(NCC2CCC(NC(=O)c3cc(Cl)cnc3C)CC2)ncc1F
InChIInChI=1S/C20H24ClFN4O/c1-12-7-19(25-11-18(12)22)24-9-14-3-5-16(6-4-14)26-20(27)17-8-15(21)10-23-13(17)2/h7-8,10-11,14,16H,3-6,9H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyPPPKSFAIKFKFSX-UHFFFAOYSA-N
MW390.89 g/mol
LogP4.29
Rot. Bonds5

About 5-chloro-N-[4-[[(5-fluoro-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide

5-chloro-N-[4-[[(5-fluoro-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 59186819) has the molecular formula C20H24ClFN4O and a molecular weight of 390.89 g/mol. Its IUPAC name is 5-chloro-N-[4-[[(5-fluoro-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[[(5-fluoro-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
PubChem CID59186819
Molecular FormulaC20H24ClFN4O
Molecular Weight390.89 g/mol
Exact Mass390.16
IUPAC Name5-chloro-N-[4-[[(5-fluoro-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1cc(NCC2CCC(NC(=O)c3cc(Cl)cnc3C)CC2)ncc1F
InChIInChI=1S/C20H24ClFN4O/c1-12-7-19(25-11-18(12)22)24-9-14-3-5-16(6-4-14)26-20(27)17-8-15(21)10-23-13(17)2/h7-8,10-11,14,16H,3-6,9H2,1-2H3,(H,24,25)(H,26,27)
InChIKeyPPPKSFAIKFKFSX-UHFFFAOYSA-N
XLogP4.29
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 54.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[4-[[(5-fluoro-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide with MolForge

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Related Compounds

(2-((3-Methylbutyl)amino)-3-pyridinyl)(4-(phenylmethyl)-1-piperazinyl)methanone
CID 50922681
(3S)-1-(3-chloropyridin-2-yl)-3-methyl-N-[4-(trifluoromethyl)phenyl]-3,6-dihydro-2H-pyridine-4-carboxamide
CID 25224408
5-Chloro-2-ethyl-9-methyl-13-[(phenylamino)methyl]-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470669
5-Chloro-2-ethyl-9-methyl-13-{[methyl(phenyl)amino]methyl}-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470674
13-{[(3-Aminophenyl)amino]methyl}-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470675
[3-(2-{5-Chloro-2-ethyl-9-methyl-10-oxo-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-13-yl}ethyl)phenyl]urea
CID 470748
13-[2-(4-Aminophenyl)ethyl]-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470756
13-[2-(3-Aminophenyl)ethyl]-5-chloro-2-ethyl-9-methyl-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(15),3(8),4,6,11,13-hexaen-10-one
CID 470757
6-(4-chlorophenylamino)-N,N-diethylnicotinamide
CID 23725212
Rac-(5-chloro-6-(6-methylpyridin-3-ylamino)pyridin-3-yl)(2-ethylpiperidin-1-yl)methanone
CID 23725698
(5-Chloro-6-((6-methylpyridin-3-yl)amino)pyridin-3-yl)-((2R)-2-ethylpiperidin-1-yl)methanone
CID 23725699
N-{3-[(1S)-1-[(6-chloropyrazin-2-yl)amino]ethyl]phenyl}pyridine-3-carboxamide
CID 25218446

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[[(5-fluoro-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[4-[[(5-fluoro-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (CID 59186819) is 5-chloro-N-[4-[[(5-fluoro-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[[(5-fluoro-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[[(5-fluoro-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is Cc1cc(NCC2CCC(NC(=O)c3cc(Cl)cnc3C)CC2)ncc1F.
What is the InChIKey of 5-chloro-N-[4-[[(5-fluoro-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The InChIKey is PPPKSFAIKFKFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClFN4O/c1-12-7-19(25-11-18(12)22)24-9-14-3-5-16(6-4-14)26-20(27)17-8-15(21)10-23-13(17)2/h7-8,10-11,14,16H,3-6,9H2,1-2H3,(H,24,25)(H,26,27).
What are the key properties of 5-chloro-N-[4-[[(5-fluoro-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
5-chloro-N-[4-[[(5-fluoro-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 390.89 g/mol, XLogP of 4.29, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[4-[[(5-fluoro-4-methyl-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 59186819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).