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

C19H22ClFN4O — CID 58317422

IUPAC5-chloro-N-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(Cl)cc1C(=O)NC1CCC(CNc2ccc(F)cn2)CC1
InChIInChI=1S/C19H22ClFN4O/c1-12-17(8-14(20)10-22-12)19(26)25-16-5-2-13(3-6-16)9-23-18-7-4-15(21)11-24-18/h4,7-8,10-11,13,16H,2-3,5-6,9H2,1H3,(H,23,24)(H,25,26)
InChIKeyGKWXTSMSFZSJIT-UHFFFAOYSA-N
MW376.86 g/mol
LogP3.98
Rot. Bonds5

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

5-chloro-N-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (PubChem CID 58317422) has the molecular formula C19H22ClFN4O and a molecular weight of 376.86 g/mol. Its IUPAC name is 5-chloro-N-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
PubChem CID58317422
Molecular FormulaC19H22ClFN4O
Molecular Weight376.86 g/mol
Exact Mass376.15
IUPAC Name5-chloro-N-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide
SMILESCc1ncc(Cl)cc1C(=O)NC1CCC(CNc2ccc(F)cn2)CC1
InChIInChI=1S/C19H22ClFN4O/c1-12-17(8-14(20)10-22-12)19(26)25-16-5-2-13(3-6-16)9-23-18-7-4-15(21)11-24-18/h4,7-8,10-11,13,16H,2-3,5-6,9H2,1H3,(H,23,24)(H,25,26)
InChIKeyGKWXTSMSFZSJIT-UHFFFAOYSA-N
XLogP3.98
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

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Dipyridodiazepinone deriv. 15
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5-Chloro-2-ethyl-9-methyl-13-(2-phenylethyl)-2,4,9,15-tetraazatricyclo[9.4.0.0^{3,8}]pentadeca-1(11),3,5,7,12,14-hexaen-10-one
CID 470667
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-(2-Aminopyridin-4-yl)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 470751
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

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The IUPAC name of 5-chloro-N-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide (CID 58317422) is 5-chloro-N-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide.
What is the SMILES notation for 5-chloro-N-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The canonical SMILES for 5-chloro-N-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is Cc1ncc(Cl)cc1C(=O)NC1CCC(CNc2ccc(F)cn2)CC1.
What is the InChIKey of 5-chloro-N-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
The InChIKey is GKWXTSMSFZSJIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN4O/c1-12-17(8-14(20)10-22-12)19(26)25-16-5-2-13(3-6-16)9-23-18-7-4-15(21)11-24-18/h4,7-8,10-11,13,16H,2-3,5-6,9H2,1H3,(H,23,24)(H,25,26).
What are the key properties of 5-chloro-N-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide?
5-chloro-N-[4-[[(5-fluoro-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide has a molecular weight of 376.86 g/mol, XLogP of 3.98, 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-2-pyridinyl)amino]methyl]cyclohexyl]-2-methylpyridine-3-carboxamide is sourced from PubChem (CID 58317422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).