6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide

C18H18F5N5O — CID 67775148

IUPAC6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(N[C@@H]2CCCC(F)(F)[C@@H]2N)nc1Nc1cc(F)cc(F)c1
InChIInChI=1S/C18H18F5N5O/c19-8-4-9(20)6-10(5-8)26-16-11(15(25)29)7-12(21)17(28-16)27-13-2-1-3-18(22,23)14(13)24/h4-7,13-14H,1-3,24H2,(H2,25,29)(H2,26,27,28)/t13-,14-/m1/s1
InChIKeyKZWRAAPNCCMXLU-ZIAGYGMSSA-N
MW415.37 g/mol
LogP3.27
Rot. Bonds5

About 6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide

6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide (PubChem CID 67775148) has the molecular formula C18H18F5N5O and a molecular weight of 415.37 g/mol. Its IUPAC name is 6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide
PubChem CID67775148
Molecular FormulaC18H18F5N5O
Molecular Weight415.37 g/mol
Exact Mass415.14
IUPAC Name6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide
SMILESNC(=O)c1cc(F)c(N[C@@H]2CCCC(F)(F)[C@@H]2N)nc1Nc1cc(F)cc(F)c1
InChIInChI=1S/C18H18F5N5O/c19-8-4-9(20)6-10(5-8)26-16-11(15(25)29)7-12(21)17(28-16)27-13-2-1-3-18(22,23)14(13)24/h4-7,13-14H,1-3,24H2,(H2,25,29)(H2,26,27,28)/t13-,14-/m1/s1
InChIKeyKZWRAAPNCCMXLU-ZIAGYGMSSA-N
XLogP3.27
TPSA106.06 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.37
LogP ≤ 53.27
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-[(5-methyl-3-pyridinyl)amino]pyridine-3-carboxamide
CID 67775471
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide
CID 69284997
6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-5-fluoro-2-[3-(triazol-2-yl)anilino]pyridine-3-carboxamide
CID 57335964
6-[[(1R)-2-aminocyclohexyl]amino]-2-(3-chloro-5-fluoroanilino)-5-fluoropyridine-3-carboxamide
CID 129192471
2-(3-chloroanilino)-6-[[(2R)-3,3-difluoro-2-(methylamino)cyclohexyl]amino]-5-fluoropyridine-3-carboxamide
CID 129192978
6-[[(2R)-3,3-difluoro-2-(methylamino)cyclohexyl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
CID 129192227
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(4-chloroanilino)-5-fluoropyridine-3-carboxamide
CID 69285084
6-[[(6S)-6-amino-2,2-difluorocyclohexyl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
CID 129192518
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-[(2-aminocyclohexyl)amino]-5-fluoro-2-(isoquinolin-7-ylamino)pyridine-3-carboxamide
CID 77353295
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-[(2-methoxypyrimidin-5-yl)amino]pyridine-3-carboxamide
CID 67774949

Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide?
The IUPAC name of 6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide (CID 67775148) is 6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide is NC(=O)c1cc(F)c(N[C@@H]2CCCC(F)(F)[C@@H]2N)nc1Nc1cc(F)cc(F)c1.
What is the InChIKey of 6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide?
The InChIKey is KZWRAAPNCCMXLU-ZIAGYGMSSA-N. The full InChI is InChI=1S/C18H18F5N5O/c19-8-4-9(20)6-10(5-8)26-16-11(15(25)29)7-12(21)17(28-16)27-13-2-1-3-18(22,23)14(13)24/h4-7,13-14H,1-3,24H2,(H2,25,29)(H2,26,27,28)/t13-,14-/m1/s1.
What are the key properties of 6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide?
6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide has a molecular weight of 415.37 g/mol, XLogP of 3.27, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 67775148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).