2-(3-chloroanilino)-6-[[(2R)-3,3-difluoro-2-(methylamino)cyclohexyl]amino]-5-fluoropyridine-3-carboxamide

C19H21ClF3N5O — CID 129192978

IUPAC2-(3-chloroanilino)-6-[[(2R)-3,3-difluoro-2-(methylamino)cyclohexyl]amino]-5-fluoropyridine-3-carboxamide
SMILESCN[C@@H]1C(Nc2nc(Nc3cccc(Cl)c3)c(C(N)=O)cc2F)CCCC1(F)F
InChIInChI=1S/C19H21ClF3N5O/c1-25-15-14(6-3-7-19(15,22)23)27-18-13(21)9-12(16(24)29)17(28-18)26-11-5-2-4-10(20)8-11/h2,4-5,8-9,14-15,25H,3,6-7H2,1H3,(H2,24,29)(H2,26,27,28)/t14?,15-/m1/s1
InChIKeyUBTCHSJMSLSSAB-YSSOQSIOSA-N
MW427.86 g/mol
LogP3.90
Rot. Bonds6

About 2-(3-chloroanilino)-6-[[(2R)-3,3-difluoro-2-(methylamino)cyclohexyl]amino]-5-fluoropyridine-3-carboxamide

2-(3-chloroanilino)-6-[[(2R)-3,3-difluoro-2-(methylamino)cyclohexyl]amino]-5-fluoropyridine-3-carboxamide (PubChem CID 129192978) has the molecular formula C19H21ClF3N5O and a molecular weight of 427.86 g/mol. Its IUPAC name is 2-(3-chloroanilino)-6-[[(2R)-3,3-difluoro-2-(methylamino)cyclohexyl]amino]-5-fluoropyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-chloroanilino)-6-[[(2R)-3,3-difluoro-2-(methylamino)cyclohexyl]amino]-5-fluoropyridine-3-carboxamide
PubChem CID129192978
Molecular FormulaC19H21ClF3N5O
Molecular Weight427.86 g/mol
Exact Mass427.14
IUPAC Name2-(3-chloroanilino)-6-[[(2R)-3,3-difluoro-2-(methylamino)cyclohexyl]amino]-5-fluoropyridine-3-carboxamide
SMILESCN[C@@H]1C(Nc2nc(Nc3cccc(Cl)c3)c(C(N)=O)cc2F)CCCC1(F)F
InChIInChI=1S/C19H21ClF3N5O/c1-25-15-14(6-3-7-19(15,22)23)27-18-13(21)9-12(16(24)29)17(28-18)26-11-5-2-4-10(20)8-11/h2,4-5,8-9,14-15,25H,3,6-7H2,1H3,(H2,24,29)(H2,26,27,28)/t14?,15-/m1/s1
InChIKeyUBTCHSJMSLSSAB-YSSOQSIOSA-N
XLogP3.90
TPSA92.07 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.86
LogP ≤ 53.90
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Analyze 2-(3-chloroanilino)-6-[[(2R)-3,3-difluoro-2-(methylamino)cyclohexyl]amino]-5-fluoropyridine-3-carboxamide with MolForge

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Related Compounds

6-[[(2R)-3,3-difluoro-2-(methylamino)cyclohexyl]amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
CID 129192227
2-(1,3-benzothiazol-7-ylamino)-6-[[3,3-difluoro-2-(methylamino)cyclohexyl]amino]-5-fluoropyridine-3-carboxamide
CID 129192405
6-[[(1R,2R)-3,3-difluoro-2-(methylamino)cyclohexyl]amino]-2-[(1-ethylindol-4-yl)amino]-5-fluoropyridine-3-carboxamide
CID 147481318
[3-[[3-carbamoyl-6-[[2,2-difluoro-6-(methylamino)cyclohexyl]amino]-5-fluoro-2-pyridinyl]amino]phenyl]-(2-iminoethylideneamino)azanium
CID 163913054
1-[6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3-chloroanilino)-5-fluoro-3-pyridinyl]ethanone
CID 134285459
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]-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-[[(6S)-6-amino-2,2-difluorocyclohexyl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
CID 129192518
6-[[(1R,2R)-2-amino-3,3-difluorocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide
CID 67775148
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-(4-chloroanilino)-5-fluoropyridine-3-carboxamide
CID 69285084

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloroanilino)-6-[[(2R)-3,3-difluoro-2-(methylamino)cyclohexyl]amino]-5-fluoropyridine-3-carboxamide?
The IUPAC name of 2-(3-chloroanilino)-6-[[(2R)-3,3-difluoro-2-(methylamino)cyclohexyl]amino]-5-fluoropyridine-3-carboxamide (CID 129192978) is 2-(3-chloroanilino)-6-[[(2R)-3,3-difluoro-2-(methylamino)cyclohexyl]amino]-5-fluoropyridine-3-carboxamide.
What is the SMILES notation for 2-(3-chloroanilino)-6-[[(2R)-3,3-difluoro-2-(methylamino)cyclohexyl]amino]-5-fluoropyridine-3-carboxamide?
The canonical SMILES for 2-(3-chloroanilino)-6-[[(2R)-3,3-difluoro-2-(methylamino)cyclohexyl]amino]-5-fluoropyridine-3-carboxamide is CN[C@@H]1C(Nc2nc(Nc3cccc(Cl)c3)c(C(N)=O)cc2F)CCCC1(F)F.
What is the InChIKey of 2-(3-chloroanilino)-6-[[(2R)-3,3-difluoro-2-(methylamino)cyclohexyl]amino]-5-fluoropyridine-3-carboxamide?
The InChIKey is UBTCHSJMSLSSAB-YSSOQSIOSA-N. The full InChI is InChI=1S/C19H21ClF3N5O/c1-25-15-14(6-3-7-19(15,22)23)27-18-13(21)9-12(16(24)29)17(28-18)26-11-5-2-4-10(20)8-11/h2,4-5,8-9,14-15,25H,3,6-7H2,1H3,(H2,24,29)(H2,26,27,28)/t14?,15-/m1/s1.
What are the key properties of 2-(3-chloroanilino)-6-[[(2R)-3,3-difluoro-2-(methylamino)cyclohexyl]amino]-5-fluoropyridine-3-carboxamide?
2-(3-chloroanilino)-6-[[(2R)-3,3-difluoro-2-(methylamino)cyclohexyl]amino]-5-fluoropyridine-3-carboxamide has a molecular weight of 427.86 g/mol, XLogP of 3.90, 6 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloroanilino)-6-[[(2R)-3,3-difluoro-2-(methylamino)cyclohexyl]amino]-5-fluoropyridine-3-carboxamide is sourced from PubChem (CID 129192978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).