2-[(2,6-dimethyl-4-pyridinyl)amino]-6-[(2-ethylcyclohexyl)-methylamino]-5-fluoropyridine-3-carboxamide

C22H30FN5O — CID 123780469

IUPAC2-[(2,6-dimethyl-4-pyridinyl)amino]-6-[(2-ethylcyclohexyl)-methylamino]-5-fluoropyridine-3-carboxamide
SMILESCCC1CCCCC1N(C)c1nc(Nc2cc(C)nc(C)c2)c(C(N)=O)cc1F
InChIInChI=1S/C22H30FN5O/c1-5-15-8-6-7-9-19(15)28(4)22-18(23)12-17(20(24)29)21(27-22)26-16-10-13(2)25-14(3)11-16/h10-12,15,19H,5-9H2,1-4H3,(H2,24,29)(H,25,26,27)
InChIKeyRYZKIPQIUUSBRF-UHFFFAOYSA-N
MW399.51 g/mol
LogP4.48
Rot. Bonds6

About 2-[(2,6-dimethyl-4-pyridinyl)amino]-6-[(2-ethylcyclohexyl)-methylamino]-5-fluoropyridine-3-carboxamide

2-[(2,6-dimethyl-4-pyridinyl)amino]-6-[(2-ethylcyclohexyl)-methylamino]-5-fluoropyridine-3-carboxamide (PubChem CID 123780469) has the molecular formula C22H30FN5O and a molecular weight of 399.51 g/mol. Its IUPAC name is 2-[(2,6-dimethyl-4-pyridinyl)amino]-6-[(2-ethylcyclohexyl)-methylamino]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name2-[(2,6-dimethyl-4-pyridinyl)amino]-6-[(2-ethylcyclohexyl)-methylamino]-5-fluoropyridine-3-carboxamide
PubChem CID123780469
Molecular FormulaC22H30FN5O
Molecular Weight399.51 g/mol
Exact Mass399.24
IUPAC Name2-[(2,6-dimethyl-4-pyridinyl)amino]-6-[(2-ethylcyclohexyl)-methylamino]-5-fluoropyridine-3-carboxamide
SMILESCCC1CCCCC1N(C)c1nc(Nc2cc(C)nc(C)c2)c(C(N)=O)cc1F
InChIInChI=1S/C22H30FN5O/c1-5-15-8-6-7-9-19(15)28(4)22-18(23)12-17(20(24)29)21(27-22)26-16-10-13(2)25-14(3)11-16/h10-12,15,19H,5-9H2,1-4H3,(H2,24,29)(H,25,26,27)
InChIKeyRYZKIPQIUUSBRF-UHFFFAOYSA-N
XLogP4.48
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.51
LogP ≤ 54.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(2,6-dimethyl-4-pyridinyl)amino]-6-[(2-ethylcyclohexyl)-methylamino]-5-fluoropyridine-3-carboxamide with MolForge

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Related Compounds

6-[[(1R)-2-aminocyclohexyl]-methylamino]-2-[[5-(3-aminophenyl)-3-pyridinyl]amino]-5-fluoropyridine-3-carboxamide
CID 68612196
5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-pyrazol-1-ylanilino)pyridine-3-carboxamide
CID 123644186
6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-(4-methylanilino)pyridine-3-carboxamide
CID 67509421
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide
CID 69284997
6-[(1-amino-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide
CID 123968917
6-[carbamoyl(cyclohexyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
CID 67509222
6-[(1-aminocyclopropyl)-propylamino]-5-fluoro-2-[(5-fluoro-3-pyridinyl)amino]pyridine-3-carboxamide
CID 67509232
6-[[(1R)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide
CID 163538424
6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-methylanilino)pyridine-3-carboxamide
CID 56599745
6-[[(2S)-2-aminocyclohexyl]amino]-2-(2,3-dimethylanilino)-5-fluoropyridine-3-carboxamide
CID 129192370
6-[(1-amino-3-methyl-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide
CID 123570338
6-[[(1R)-2-aminocyclohexyl]amino]-2-(3-chloro-5-fluoroanilino)-5-fluoropyridine-3-carboxamide
CID 129192471

Frequently Asked Questions

What is the IUPAC name of 2-[(2,6-dimethyl-4-pyridinyl)amino]-6-[(2-ethylcyclohexyl)-methylamino]-5-fluoropyridine-3-carboxamide?
The IUPAC name of 2-[(2,6-dimethyl-4-pyridinyl)amino]-6-[(2-ethylcyclohexyl)-methylamino]-5-fluoropyridine-3-carboxamide (CID 123780469) is 2-[(2,6-dimethyl-4-pyridinyl)amino]-6-[(2-ethylcyclohexyl)-methylamino]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 2-[(2,6-dimethyl-4-pyridinyl)amino]-6-[(2-ethylcyclohexyl)-methylamino]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 2-[(2,6-dimethyl-4-pyridinyl)amino]-6-[(2-ethylcyclohexyl)-methylamino]-5-fluoropyridine-3-carboxamide is CCC1CCCCC1N(C)c1nc(Nc2cc(C)nc(C)c2)c(C(N)=O)cc1F.
What is the InChIKey of 2-[(2,6-dimethyl-4-pyridinyl)amino]-6-[(2-ethylcyclohexyl)-methylamino]-5-fluoropyridine-3-carboxamide?
The InChIKey is RYZKIPQIUUSBRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30FN5O/c1-5-15-8-6-7-9-19(15)28(4)22-18(23)12-17(20(24)29)21(27-22)26-16-10-13(2)25-14(3)11-16/h10-12,15,19H,5-9H2,1-4H3,(H2,24,29)(H,25,26,27).
What are the key properties of 2-[(2,6-dimethyl-4-pyridinyl)amino]-6-[(2-ethylcyclohexyl)-methylamino]-5-fluoropyridine-3-carboxamide?
2-[(2,6-dimethyl-4-pyridinyl)amino]-6-[(2-ethylcyclohexyl)-methylamino]-5-fluoropyridine-3-carboxamide has a molecular weight of 399.51 g/mol, XLogP of 4.48, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,6-dimethyl-4-pyridinyl)amino]-6-[(2-ethylcyclohexyl)-methylamino]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 123780469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).