6-[(2-aminocyclohexylidene)amino]-5-fluoro-2-[[8-(methylamino)quinolin-6-yl]amino]pyridine-3-carboxamide

C22H24FN7O — CID 154030044

IUPAC6-[(2-aminocyclohexylidene)amino]-5-fluoro-2-[[8-(methylamino)quinolin-6-yl]amino]pyridine-3-carboxamide
SMILESCNc1cc(Nc2nc(N=C3CCCCC3N)c(F)cc2C(N)=O)cc2cccnc12
InChIInChI=1S/C22H24FN7O/c1-26-18-10-13(9-12-5-4-8-27-19(12)18)28-21-14(20(25)31)11-15(23)22(30-21)29-17-7-3-2-6-16(17)24/h4-5,8-11,16,26H,2-3,6-7,24H2,1H3,(H2,25,31)(H,28,30)
InChIKeyCJUIEEQJZGLQFF-UHFFFAOYSA-N
MW421.48 g/mol
LogP3.63
Rot. Bonds5

About 6-[(2-aminocyclohexylidene)amino]-5-fluoro-2-[[8-(methylamino)quinolin-6-yl]amino]pyridine-3-carboxamide

6-[(2-aminocyclohexylidene)amino]-5-fluoro-2-[[8-(methylamino)quinolin-6-yl]amino]pyridine-3-carboxamide (PubChem CID 154030044) has the molecular formula C22H24FN7O and a molecular weight of 421.48 g/mol. Its IUPAC name is 6-[(2-aminocyclohexylidene)amino]-5-fluoro-2-[[8-(methylamino)quinolin-6-yl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-aminocyclohexylidene)amino]-5-fluoro-2-[[8-(methylamino)quinolin-6-yl]amino]pyridine-3-carboxamide
PubChem CID154030044
Molecular FormulaC22H24FN7O
Molecular Weight421.48 g/mol
Exact Mass421.20
IUPAC Name6-[(2-aminocyclohexylidene)amino]-5-fluoro-2-[[8-(methylamino)quinolin-6-yl]amino]pyridine-3-carboxamide
SMILESCNc1cc(Nc2nc(N=C3CCCCC3N)c(F)cc2C(N)=O)cc2cccnc12
InChIInChI=1S/C22H24FN7O/c1-26-18-10-13(9-12-5-4-8-27-19(12)18)28-21-14(20(25)31)11-15(23)22(30-21)29-17-7-3-2-6-16(17)24/h4-5,8-11,16,26H,2-3,6-7,24H2,1H3,(H2,25,31)(H,28,30)
InChIKeyCJUIEEQJZGLQFF-UHFFFAOYSA-N
XLogP3.63
TPSA131.31 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.48
LogP ≤ 53.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

6-[[(2S)-2-aminocyclohexylidene]amino]-5-fluoro-2-[(1-methyl-3-propylindazol-5-yl)amino]pyridine-3-carboxamide
CID 163763806
2-[[(2S)-2-aminocyclohexylidene]amino]-4-(naphthalen-2-ylamino)pyrimidine-5-carboxamide
CID 147176443
6-[[(1R,2S)-2-aminocyclohexyl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
CID 67776986
5-fluoro-6-[[2-(methylamino)cyclohexyl]amino]-2-(1,8-naphthyridin-4-ylamino)pyridine-3-carboxamide
CID 129192285
6-[carbamoyl(cyclohexyl)amino]-5-fluoro-2-(quinolin-3-ylamino)pyridine-3-carboxamide
CID 67509222
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(4-chloroanilino)-5-fluoropyridine-3-carboxamide
CID 69285084
6-[(1-amino-3-methyl-1-oxobutan-2-yl)-methylamino]-5-fluoro-2-(quinolin-6-ylamino)pyridine-3-carboxamide
CID 123570338
6-[[(1R,2S)-2-aminocyclohexyl]amino]-2-(3,5-difluoroanilino)-5-fluoropyridine-3-carboxamide
CID 69284997
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
8-(methylamino)quinoline-6-carboxylic acid
CID 170992656
6-[[(6S)-6-amino-2,2-difluorocyclohexyl]amino]-5-fluoro-2-(3-pyrimidin-2-ylanilino)pyridine-3-carboxamide
CID 129192518

Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminocyclohexylidene)amino]-5-fluoro-2-[[8-(methylamino)quinolin-6-yl]amino]pyridine-3-carboxamide?
The IUPAC name of 6-[(2-aminocyclohexylidene)amino]-5-fluoro-2-[[8-(methylamino)quinolin-6-yl]amino]pyridine-3-carboxamide (CID 154030044) is 6-[(2-aminocyclohexylidene)amino]-5-fluoro-2-[[8-(methylamino)quinolin-6-yl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-aminocyclohexylidene)amino]-5-fluoro-2-[[8-(methylamino)quinolin-6-yl]amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[(2-aminocyclohexylidene)amino]-5-fluoro-2-[[8-(methylamino)quinolin-6-yl]amino]pyridine-3-carboxamide is CNc1cc(Nc2nc(N=C3CCCCC3N)c(F)cc2C(N)=O)cc2cccnc12.
What is the InChIKey of 6-[(2-aminocyclohexylidene)amino]-5-fluoro-2-[[8-(methylamino)quinolin-6-yl]amino]pyridine-3-carboxamide?
The InChIKey is CJUIEEQJZGLQFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN7O/c1-26-18-10-13(9-12-5-4-8-27-19(12)18)28-21-14(20(25)31)11-15(23)22(30-21)29-17-7-3-2-6-16(17)24/h4-5,8-11,16,26H,2-3,6-7,24H2,1H3,(H2,25,31)(H,28,30).
What are the key properties of 6-[(2-aminocyclohexylidene)amino]-5-fluoro-2-[[8-(methylamino)quinolin-6-yl]amino]pyridine-3-carboxamide?
6-[(2-aminocyclohexylidene)amino]-5-fluoro-2-[[8-(methylamino)quinolin-6-yl]amino]pyridine-3-carboxamide has a molecular weight of 421.48 g/mol, XLogP of 3.63, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminocyclohexylidene)amino]-5-fluoro-2-[[8-(methylamino)quinolin-6-yl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 154030044), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).