6-[[(2S)-2-aminocyclohexyl]amino]-2-(2,3-dimethylanilino)-5-fluoropyridine-3-carboxamide

C20H26FN5O — CID 129192370

IUPAC6-[[(2S)-2-aminocyclohexyl]amino]-2-(2,3-dimethylanilino)-5-fluoropyridine-3-carboxamide
SMILESCc1cccc(Nc2nc(NC3CCCC[C@@H]3N)c(F)cc2C(N)=O)c1C
InChIInChI=1S/C20H26FN5O/c1-11-6-5-9-16(12(11)2)24-19-13(18(23)27)10-14(21)20(26-19)25-17-8-4-3-7-15(17)22/h5-6,9-10,15,17H,3-4,7-8,22H2,1-2H3,(H2,23,27)(H2,24,25,26)/t15-,17?/m0/s1
InChIKeyUXEIABCCOFSSIX-MYJWUSKBSA-N
MW371.46 g/mol
LogP3.36
Rot. Bonds5

About 6-[[(2S)-2-aminocyclohexyl]amino]-2-(2,3-dimethylanilino)-5-fluoropyridine-3-carboxamide

6-[[(2S)-2-aminocyclohexyl]amino]-2-(2,3-dimethylanilino)-5-fluoropyridine-3-carboxamide (PubChem CID 129192370) has the molecular formula C20H26FN5O and a molecular weight of 371.46 g/mol. Its IUPAC name is 6-[[(2S)-2-aminocyclohexyl]amino]-2-(2,3-dimethylanilino)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(2S)-2-aminocyclohexyl]amino]-2-(2,3-dimethylanilino)-5-fluoropyridine-3-carboxamide
PubChem CID129192370
Molecular FormulaC20H26FN5O
Molecular Weight371.46 g/mol
Exact Mass371.21
IUPAC Name6-[[(2S)-2-aminocyclohexyl]amino]-2-(2,3-dimethylanilino)-5-fluoropyridine-3-carboxamide
SMILESCc1cccc(Nc2nc(NC3CCCC[C@@H]3N)c(F)cc2C(N)=O)c1C
InChIInChI=1S/C20H26FN5O/c1-11-6-5-9-16(12(11)2)24-19-13(18(23)27)10-14(21)20(26-19)25-17-8-4-3-7-15(17)22/h5-6,9-10,15,17H,3-4,7-8,22H2,1-2H3,(H2,23,27)(H2,24,25,26)/t15-,17?/m0/s1
InChIKeyUXEIABCCOFSSIX-MYJWUSKBSA-N
XLogP3.36
TPSA106.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 53.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

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-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(4-chloroanilino)-5-fluoropyridine-3-carboxamide
CID 69285084
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide
CID 69284997
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
CID 67776986
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(2-methoxypyrimidin-5-yl)amino]pyridine-3-carboxamide
CID 67774949
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(1,2-dihydropyridazin-4-ylamino)-5-fluoropyridine-3-carboxamide
CID 129192233
6-[[(1R)-2-aminocyclohexyl]amino]-2-(3-chloro-5-fluoroanilino)-5-fluoropyridine-3-carboxamide
CID 129192471
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(5-methoxy-3-pyridinyl)amino]pyridine-3-carboxamide
CID 69284851
6-[[(2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(4-morpholin-4-ylanilino)pyridine-3-carboxamide
CID 56599747
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyridine-3-carboxamide
CID 69284871
6-[(2-aminocyclohexyl)amino]-5-fluoro-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide
CID 77353295

Frequently Asked Questions

What is the IUPAC name of 6-[[(2S)-2-aminocyclohexyl]amino]-2-(2,3-dimethylanilino)-5-fluoropyridine-3-carboxamide?
The IUPAC name of 6-[[(2S)-2-aminocyclohexyl]amino]-2-(2,3-dimethylanilino)-5-fluoropyridine-3-carboxamide (CID 129192370) is 6-[[(2S)-2-aminocyclohexyl]amino]-2-(2,3-dimethylanilino)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 6-[[(2S)-2-aminocyclohexyl]amino]-2-(2,3-dimethylanilino)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 6-[[(2S)-2-aminocyclohexyl]amino]-2-(2,3-dimethylanilino)-5-fluoropyridine-3-carboxamide is Cc1cccc(Nc2nc(NC3CCCC[C@@H]3N)c(F)cc2C(N)=O)c1C.
What is the InChIKey of 6-[[(2S)-2-aminocyclohexyl]amino]-2-(2,3-dimethylanilino)-5-fluoropyridine-3-carboxamide?
The InChIKey is UXEIABCCOFSSIX-MYJWUSKBSA-N. The full InChI is InChI=1S/C20H26FN5O/c1-11-6-5-9-16(12(11)2)24-19-13(18(23)27)10-14(21)20(26-19)25-17-8-4-3-7-15(17)22/h5-6,9-10,15,17H,3-4,7-8,22H2,1-2H3,(H2,23,27)(H2,24,25,26)/t15-,17?/m0/s1.
What are the key properties of 6-[[(2S)-2-aminocyclohexyl]amino]-2-(2,3-dimethylanilino)-5-fluoropyridine-3-carboxamide?
6-[[(2S)-2-aminocyclohexyl]amino]-2-(2,3-dimethylanilino)-5-fluoropyridine-3-carboxamide has a molecular weight of 371.46 g/mol, XLogP of 3.36, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(2S)-2-aminocyclohexyl]amino]-2-(2,3-dimethylanilino)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 129192370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).