6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide

C20H23FN6O2 — CID 68614242

IUPAC6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide
SMILESCc1nc2ccc(Nc3nc(NC4CCCCC4N)c(F)cc3C(N)=O)cc2o1
InChIInChI=1S/C20H23FN6O2/c1-10-24-16-7-6-11(8-17(16)29-10)25-19-12(18(23)28)9-13(21)20(27-19)26-15-5-3-2-4-14(15)22/h6-9,14-15H,2-5,22H2,1H3,(H2,23,28)(H2,25,26,27)
InChIKeyRUJNUQYOXGDLRC-UHFFFAOYSA-N
MW398.44 g/mol
LogP3.19
Rot. Bonds5

About 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide

6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide (PubChem CID 68614242) has the molecular formula C20H23FN6O2 and a molecular weight of 398.44 g/mol. Its IUPAC name is 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide
PubChem CID68614242
Molecular FormulaC20H23FN6O2
Molecular Weight398.44 g/mol
Exact Mass398.19
IUPAC Name6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide
SMILESCc1nc2ccc(Nc3nc(NC4CCCCC4N)c(F)cc3C(N)=O)cc2o1
InChIInChI=1S/C20H23FN6O2/c1-10-24-16-7-6-11(8-17(16)29-10)25-19-12(18(23)28)9-13(21)20(27-19)26-15-5-3-2-4-14(15)22/h6-9,14-15H,2-5,22H2,1H3,(H2,23,28)(H2,25,26,27)
InChIKeyRUJNUQYOXGDLRC-UHFFFAOYSA-N
XLogP3.19
TPSA132.09 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 53.19
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyridine-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

4-(2-(4-ethylphenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide
CID 22040436
5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine
CID 71453771
N-(2-morpholin-4-yl-1,3-benzoxazol-6-yl)-6-pyridin-4-yl-pyridine-2-carboxamide
CID 71542383
5-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]-N,N-dimethylpyridin-2-amine
CID 71455502
5-[5-(2-fluoroethoxy)-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine
CID 71460940
5-[5-[2-[2-(2-fluoroethoxy)ethoxy]ethoxy]-1,3-benzoxazol-2-yl]-N-methylpyridin-2-amine
CID 71462647
2-(1,3-benzoxazol-2-ylamino)-N-(4-fluorophenyl)-4,6-dimethylpyrimidine-5-carboxamide
CID 1088052
1-(2-Methyl-1,3-benzoxazol-6-yl)-3-(2-methylquinolin-4-yl)urea
CID 9797672
N-[3-(2-Dimethylamino-ethyl)-2-methyl-furo[3,2-b]pyridin-5-yl]-4-fluoro-benzamide
CID 10991464
4-(2-(4-(dimethylamino)phenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide
CID 22040397
4-(2-(2-ethylphenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide
CID 22040796
4-(2-(4-butylphenylamino)benzo[d]oxazol-5-yloxy)-N-methylpicolinamide
CID 22040966

Frequently Asked Questions

What is the IUPAC name of 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide (CID 68614242) is 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide is Cc1nc2ccc(Nc3nc(NC4CCCCC4N)c(F)cc3C(N)=O)cc2o1.
What is the InChIKey of 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide?
The InChIKey is RUJNUQYOXGDLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN6O2/c1-10-24-16-7-6-11(8-17(16)29-10)25-19-12(18(23)28)9-13(21)20(27-19)26-15-5-3-2-4-14(15)22/h6-9,14-15H,2-5,22H2,1H3,(H2,23,28)(H2,25,26,27).
What are the key properties of 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide?
6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide has a molecular weight of 398.44 g/mol, XLogP of 3.19, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(2-aminocyclohexyl)amino]-5-fluoro-2-[(2-methyl-1,3-benzoxazol-6-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 68614242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).