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

C23H31FN6O2 — CID 129192172

IUPAC5-fluoro-6-[[(2S)-2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide
SMILESCN[C@H]1CCCCC1Nc1nc(Nc2cccc(N3CCOCC3)c2)c(C(N)=O)cc1F
InChIInChI=1S/C23H31FN6O2/c1-26-19-7-2-3-8-20(19)28-23-18(24)14-17(21(25)31)22(29-23)27-15-5-4-6-16(13-15)30-9-11-32-12-10-30/h4-6,13-14,19-20,26H,2-3,7-12H2,1H3,(H2,25,31)(H2,27,28,29)/t19-,20?/m0/s1
InChIKeyMKYQWNZSPOIIBJ-XJDOXCRVSA-N
MW442.54 g/mol
LogP2.84
Rot. Bonds7

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

5-fluoro-6-[[(2S)-2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide (PubChem CID 129192172) has the molecular formula C23H31FN6O2 and a molecular weight of 442.54 g/mol. Its IUPAC name is 5-fluoro-6-[[(2S)-2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-fluoro-6-[[(2S)-2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide
PubChem CID129192172
Molecular FormulaC23H31FN6O2
Molecular Weight442.54 g/mol
Exact Mass442.25
IUPAC Name5-fluoro-6-[[(2S)-2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide
SMILESCN[C@H]1CCCCC1Nc1nc(Nc2cccc(N3CCOCC3)c2)c(C(N)=O)cc1F
InChIInChI=1S/C23H31FN6O2/c1-26-19-7-2-3-8-20(19)28-23-18(24)14-17(21(25)31)22(29-23)27-15-5-4-6-16(13-15)30-9-11-32-12-10-30/h4-6,13-14,19-20,26H,2-3,7-12H2,1H3,(H2,25,31)(H2,27,28,29)/t19-,20?/m0/s1
InChIKeyMKYQWNZSPOIIBJ-XJDOXCRVSA-N
XLogP2.84
TPSA104.54 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 52.84
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-6-[[(2S)-2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide with MolForge

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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
(S)-4-(5-((2-aminophenyl)carbamoyl)pyridin-2-yl)-2-methyl-N-phenylpiperazine-1-carboxamide
CID 16662872
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-[[(1R,2S)-2-aminocyclohexyl]amino]-2-[(6-methyl-2-pyridinyl)amino]benzamide
CID 71523125
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

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-[[(2S)-2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide?
The IUPAC name of 5-fluoro-6-[[(2S)-2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide (CID 129192172) is 5-fluoro-6-[[(2S)-2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide.
What is the SMILES notation for 5-fluoro-6-[[(2S)-2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide?
The canonical SMILES for 5-fluoro-6-[[(2S)-2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide is CN[C@H]1CCCCC1Nc1nc(Nc2cccc(N3CCOCC3)c2)c(C(N)=O)cc1F.
What is the InChIKey of 5-fluoro-6-[[(2S)-2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide?
The InChIKey is MKYQWNZSPOIIBJ-XJDOXCRVSA-N. The full InChI is InChI=1S/C23H31FN6O2/c1-26-19-7-2-3-8-20(19)28-23-18(24)14-17(21(25)31)22(29-23)27-15-5-4-6-16(13-15)30-9-11-32-12-10-30/h4-6,13-14,19-20,26H,2-3,7-12H2,1H3,(H2,25,31)(H2,27,28,29)/t19-,20?/m0/s1.
What are the key properties of 5-fluoro-6-[[(2S)-2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide?
5-fluoro-6-[[(2S)-2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide has a molecular weight of 442.54 g/mol, XLogP of 2.84, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-[[(2S)-2-(methylamino)cyclohexyl]amino]-2-(3-morpholin-4-ylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 129192172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).