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

C24H28F2N6O3 — CID 90154837

IUPACN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-fluorooxan-4-yl)amino]-6-(1,5-naphthyridin-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncccc3n2)cc1NC1CCOCC1F
InChIInChI=1S/C24H28F2N6O3/c1-24(2,34)20(26)12-29-23(33)14-11-28-22(10-19(14)30-16-7-9-35-13-15(16)25)32-21-6-5-17-18(31-21)4-3-8-27-17/h3-6,8,10-11,15-16,20,34H,7,9,12-13H2,1-2H3,(H,29,33)(H2,28,30,31,32)/t15?,16?,20-/m1/s1
InChIKeyXVQQKKZCWBJZLO-ALLBUHFWSA-N
MW486.52 g/mol
LogP3.15
Rot. Bonds8

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

N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-fluorooxan-4-yl)amino]-6-(1,5-naphthyridin-2-ylamino)pyridine-3-carboxamide (PubChem CID 90154837) has the molecular formula C24H28F2N6O3 and a molecular weight of 486.52 g/mol. Its IUPAC name is N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-fluorooxan-4-yl)amino]-6-(1,5-naphthyridin-2-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-fluorooxan-4-yl)amino]-6-(1,5-naphthyridin-2-ylamino)pyridine-3-carboxamide
PubChem CID90154837
Molecular FormulaC24H28F2N6O3
Molecular Weight486.52 g/mol
Exact Mass486.22
IUPAC NameN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-fluorooxan-4-yl)amino]-6-(1,5-naphthyridin-2-ylamino)pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncccc3n2)cc1NC1CCOCC1F
InChIInChI=1S/C24H28F2N6O3/c1-24(2,34)20(26)12-29-23(33)14-11-28-22(10-19(14)30-16-7-9-35-13-15(16)25)32-21-6-5-17-18(31-21)4-3-8-27-17/h3-6,8,10-11,15-16,20,34H,7,9,12-13H2,1-2H3,(H,29,33)(H2,28,30,31,32)/t15?,16?,20-/m1/s1
InChIKeyXVQQKKZCWBJZLO-ALLBUHFWSA-N
XLogP3.15
TPSA121.29 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.52
LogP ≤ 53.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-fluorooxan-4-yl)amino]-6-(1,5-naphthyridin-2-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-fluorooxan-4-yl)amino]-6-(1,5-naphthyridin-2-ylamino)pyridine-3-carboxamide (CID 90154837) is N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-fluorooxan-4-yl)amino]-6-(1,5-naphthyridin-2-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-fluorooxan-4-yl)amino]-6-(1,5-naphthyridin-2-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-fluorooxan-4-yl)amino]-6-(1,5-naphthyridin-2-ylamino)pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncccc3n2)cc1NC1CCOCC1F.
What is the InChIKey of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-fluorooxan-4-yl)amino]-6-(1,5-naphthyridin-2-ylamino)pyridine-3-carboxamide?
The InChIKey is XVQQKKZCWBJZLO-ALLBUHFWSA-N. The full InChI is InChI=1S/C24H28F2N6O3/c1-24(2,34)20(26)12-29-23(33)14-11-28-22(10-19(14)30-16-7-9-35-13-15(16)25)32-21-6-5-17-18(31-21)4-3-8-27-17/h3-6,8,10-11,15-16,20,34H,7,9,12-13H2,1-2H3,(H,29,33)(H2,28,30,31,32)/t15?,16?,20-/m1/s1.
What are the key properties of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-fluorooxan-4-yl)amino]-6-(1,5-naphthyridin-2-ylamino)pyridine-3-carboxamide?
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-fluorooxan-4-yl)amino]-6-(1,5-naphthyridin-2-ylamino)pyridine-3-carboxamide has a molecular weight of 486.52 g/mol, XLogP of 3.15, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-[(3-fluorooxan-4-yl)amino]-6-(1,5-naphthyridin-2-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 90154837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).