5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide

C24H33FN6O2 — CID 123326145

IUPAC5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide
SMILESCNC1CCCCC1N(C)c1nc(Nc2cccc(N3CCOCC3)c2)c(C(N)=O)cc1F
InChIInChI=1S/C24H33FN6O2/c1-27-20-8-3-4-9-21(20)30(2)24-19(25)15-18(22(26)32)23(29-24)28-16-6-5-7-17(14-16)31-10-12-33-13-11-31/h5-7,14-15,20-21,27H,3-4,8-13H2,1-2H3,(H2,26,32)(H,28,29)
InChIKeySJMQCTVOMCAEAY-UHFFFAOYSA-N
MW456.57 g/mol
LogP2.87
Rot. Bonds7

About 5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide

5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide (PubChem CID 123326145) has the molecular formula C24H33FN6O2 and a molecular weight of 456.57 g/mol. Its IUPAC name is 5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide
PubChem CID123326145
Molecular FormulaC24H33FN6O2
Molecular Weight456.57 g/mol
Exact Mass456.26
IUPAC Name5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide
SMILESCNC1CCCCC1N(C)c1nc(Nc2cccc(N3CCOCC3)c2)c(C(N)=O)cc1F
InChIInChI=1S/C24H33FN6O2/c1-27-20-8-3-4-9-21(20)30(2)24-19(25)15-18(22(26)32)23(29-24)28-16-6-5-7-17(14-16)31-10-12-33-13-11-31/h5-7,14-15,20-21,27H,3-4,8-13H2,1-2H3,(H2,26,32)(H,28,29)
InChIKeySJMQCTVOMCAEAY-UHFFFAOYSA-N
XLogP2.87
TPSA95.75 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.57
LogP ≤ 52.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

3-Pyridinecarboxamide, 2-(4-morpholinyl)-N-phenyl-
CID 714698
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(4,4-difluoro-piperidin-1-yl)-phenylamino]-nicotinamide
CID 118038416
2-[4-[(2S,6R)-2,6-dimethylmorpholin-4-yl]anilino]-6-[(3S)-3-(prop-2-enoylamino)pyrrolidin-1-yl]pyridine-3-carboxamide
CID 145981275
6-[(2-Aminocyclohexyl)amino]-2-(3-methylanilino)pyridine-3-carboxamide
CID 9949798
6-((1R,2S)-2-aminocyclohexylamino)-2-(m-tolylamino)nicotinamide
CID 44565885
N-[(3-fluorophenyl)-methyl]-4-methyl-6-morpholin-4-yl-2-propyl-pyridine-3-carboxylic acid amide
CID 67286956
4-anilino-6-(ethylcarbamoylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyridine-3-carboxamide
CID 71621001
6-((R)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(morpholine-4-carbonyl)-phenylamino]-nicotinamide
CID 118038598
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(2,6-dimethyl-morpholine-4-carbonyl)-phenylamino]-nicotinamide
CID 118043167
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-(4-piperidin-1-yl-phenylamino)-nicotinamide
CID 118043265
6-((S)-3-Acryloylamino-pyrrolidin-1-yl)-2-[4-(morpholine-4-carbonyl)-phenylamino]-nicotinamide
CID 118043313
N-[4-fluoro-1-[7-fluoro-4-(4-morpholin-4-ylanilino)-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-6-yl]pyrrolidin-3-yl]prop-2-enamide
CID 147621284

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide (CID 123326145) is 5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide is CNC1CCCCC1N(C)c1nc(Nc2cccc(N3CCOCC3)c2)c(C(N)=O)cc1F.
What is the InChIKey of 5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide?
The InChIKey is SJMQCTVOMCAEAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33FN6O2/c1-27-20-8-3-4-9-21(20)30(2)24-19(25)15-18(22(26)32)23(29-24)28-16-6-5-7-17(14-16)31-10-12-33-13-11-31/h5-7,14-15,20-21,27H,3-4,8-13H2,1-2H3,(H2,26,32)(H,28,29).
What are the key properties of 5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide?
5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide has a molecular weight of 456.57 g/mol, XLogP of 2.87, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[methyl-[2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 123326145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).