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

C24H29FN6O3 — CID 90155153

IUPACN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,5-naphthyridin-2-ylamino)-4-(oxan-3-ylamino)pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncccc3n2)cc1NC1CCCOC1
InChIInChI=1S/C24H29FN6O3/c1-24(2,33)20(25)13-28-23(32)16-12-27-22(11-19(16)29-15-5-4-10-34-14-15)31-21-8-7-17-18(30-21)6-3-9-26-17/h3,6-9,11-12,15,20,33H,4-5,10,13-14H2,1-2H3,(H,28,32)(H2,27,29,30,31)/t15?,20-/m1/s1
InChIKeyPQZGHBBXMXFPJO-YQYDADCPSA-N
MW468.53 g/mol
LogP3.20
Rot. Bonds8

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

N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,5-naphthyridin-2-ylamino)-4-(oxan-3-ylamino)pyridine-3-carboxamide (PubChem CID 90155153) has the molecular formula C24H29FN6O3 and a molecular weight of 468.53 g/mol. Its IUPAC name is N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,5-naphthyridin-2-ylamino)-4-(oxan-3-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,5-naphthyridin-2-ylamino)-4-(oxan-3-ylamino)pyridine-3-carboxamide
PubChem CID90155153
Molecular FormulaC24H29FN6O3
Molecular Weight468.53 g/mol
Exact Mass468.23
IUPAC NameN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,5-naphthyridin-2-ylamino)-4-(oxan-3-ylamino)pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncccc3n2)cc1NC1CCCOC1
InChIInChI=1S/C24H29FN6O3/c1-24(2,33)20(25)13-28-23(32)16-12-27-22(11-19(16)29-15-5-4-10-34-14-15)31-21-8-7-17-18(30-21)6-3-9-26-17/h3,6-9,11-12,15,20,33H,4-5,10,13-14H2,1-2H3,(H,28,32)(H2,27,29,30,31)/t15?,20-/m1/s1
InChIKeyPQZGHBBXMXFPJO-YQYDADCPSA-N
XLogP3.20
TPSA121.29 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.53
LogP ≤ 53.20
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]-6-(1,5-naphthyridin-2-ylamino)-4-(oxan-3-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,5-naphthyridin-2-ylamino)-4-(oxan-3-ylamino)pyridine-3-carboxamide (CID 90155153) is N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,5-naphthyridin-2-ylamino)-4-(oxan-3-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,5-naphthyridin-2-ylamino)-4-(oxan-3-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,5-naphthyridin-2-ylamino)-4-(oxan-3-ylamino)pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncccc3n2)cc1NC1CCCOC1.
What is the InChIKey of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,5-naphthyridin-2-ylamino)-4-(oxan-3-ylamino)pyridine-3-carboxamide?
The InChIKey is PQZGHBBXMXFPJO-YQYDADCPSA-N. The full InChI is InChI=1S/C24H29FN6O3/c1-24(2,33)20(25)13-28-23(32)16-12-27-22(11-19(16)29-15-5-4-10-34-14-15)31-21-8-7-17-18(30-21)6-3-9-26-17/h3,6-9,11-12,15,20,33H,4-5,10,13-14H2,1-2H3,(H,28,32)(H2,27,29,30,31)/t15?,20-/m1/s1.
What are the key properties of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,5-naphthyridin-2-ylamino)-4-(oxan-3-ylamino)pyridine-3-carboxamide?
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-(1,5-naphthyridin-2-ylamino)-4-(oxan-3-ylamino)pyridine-3-carboxamide has a molecular weight of 468.53 g/mol, XLogP of 3.20, 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]-6-(1,5-naphthyridin-2-ylamino)-4-(oxan-3-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 90155153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).