6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)pyridine-3-carboxamide

C25H28FN7O3 — CID 118410832

IUPAC6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncc(C#N)cc3n2)cc1NC1CCCOC1
InChIInChI=1S/C25H28FN7O3/c1-25(2,35)21(26)13-30-24(34)17-12-29-23(9-19(17)31-16-4-3-7-36-14-16)33-22-6-5-18-20(32-22)8-15(10-27)11-28-18/h5-6,8-9,11-12,16,21,35H,3-4,7,13-14H2,1-2H3,(H,30,34)(H2,29,31,32,33)/t16?,21-/m1/s1
InChIKeyNLTAYXAGWZVGDQ-CAWMZFRYSA-N
MW493.54 g/mol
LogP3.07
Rot. Bonds8

About 6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)pyridine-3-carboxamide

6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)pyridine-3-carboxamide (PubChem CID 118410832) has the molecular formula C25H28FN7O3 and a molecular weight of 493.54 g/mol. Its IUPAC name is 6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)pyridine-3-carboxamide
PubChem CID118410832
Molecular FormulaC25H28FN7O3
Molecular Weight493.54 g/mol
Exact Mass493.22
IUPAC Name6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncc(C#N)cc3n2)cc1NC1CCCOC1
InChIInChI=1S/C25H28FN7O3/c1-25(2,35)21(26)13-30-24(34)17-12-29-23(9-19(17)31-16-4-3-7-36-14-16)33-22-6-5-18-20(32-22)8-15(10-27)11-28-18/h5-6,8-9,11-12,16,21,35H,3-4,7,13-14H2,1-2H3,(H,30,34)(H2,29,31,32,33)/t16?,21-/m1/s1
InChIKeyNLTAYXAGWZVGDQ-CAWMZFRYSA-N
XLogP3.07
TPSA145.08 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500493.54
LogP ≤ 53.07
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)pyridine-3-carboxamide?
The IUPAC name of 6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)pyridine-3-carboxamide (CID 118410832) is 6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for 6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)pyridine-3-carboxamide?
The canonical SMILES for 6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncc(C#N)cc3n2)cc1NC1CCCOC1.
What is the InChIKey of 6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)pyridine-3-carboxamide?
The InChIKey is NLTAYXAGWZVGDQ-CAWMZFRYSA-N. The full InChI is InChI=1S/C25H28FN7O3/c1-25(2,35)21(26)13-30-24(34)17-12-29-23(9-19(17)31-16-4-3-7-36-14-16)33-22-6-5-18-20(32-22)8-15(10-27)11-28-18/h5-6,8-9,11-12,16,21,35H,3-4,7,13-14H2,1-2H3,(H,30,34)(H2,29,31,32,33)/t16?,21-/m1/s1.
What are the key properties of 6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)pyridine-3-carboxamide?
6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)pyridine-3-carboxamide has a molecular weight of 493.54 g/mol, XLogP of 3.07, 8 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(7-cyano-1,5-naphthyridin-2-yl)amino]-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 118410832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).