N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)-6-(quinazolin-6-ylamino)pyridine-3-carboxamide

C24H29FN6O3 — CID 90155401

IUPACN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)-6-(quinazolin-6-ylamino)pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncncc3c2)cc1NC1CCCOC1
InChIInChI=1S/C24H29FN6O3/c1-24(2,33)21(25)12-28-23(32)18-11-27-22(9-20(18)30-17-4-3-7-34-13-17)31-16-5-6-19-15(8-16)10-26-14-29-19/h5-6,8-11,14,17,21,33H,3-4,7,12-13H2,1-2H3,(H,28,32)(H2,27,30,31)/t17?,21-/m1/s1
InChIKeyOOGNRFKDGLCXJW-FBLFFUNLSA-N
MW468.53 g/mol
LogP3.20
Rot. Bonds8

About N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)-6-(quinazolin-6-ylamino)pyridine-3-carboxamide

N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)-6-(quinazolin-6-ylamino)pyridine-3-carboxamide (PubChem CID 90155401) 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]-4-(oxan-3-ylamino)-6-(quinazolin-6-ylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)-6-(quinazolin-6-ylamino)pyridine-3-carboxamide
PubChem CID90155401
Molecular FormulaC24H29FN6O3
Molecular Weight468.53 g/mol
Exact Mass468.23
IUPAC NameN-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)-6-(quinazolin-6-ylamino)pyridine-3-carboxamide
SMILESCC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncncc3c2)cc1NC1CCCOC1
InChIInChI=1S/C24H29FN6O3/c1-24(2,33)21(25)12-28-23(32)18-11-27-22(9-20(18)30-17-4-3-7-34-13-17)31-16-5-6-19-15(8-16)10-26-14-29-19/h5-6,8-11,14,17,21,33H,3-4,7,12-13H2,1-2H3,(H,28,32)(H2,27,30,31)/t17?,21-/m1/s1
InChIKeyOOGNRFKDGLCXJW-FBLFFUNLSA-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]-4-(oxan-3-ylamino)-6-(quinazolin-6-ylamino)pyridine-3-carboxamide?
The IUPAC name of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)-6-(quinazolin-6-ylamino)pyridine-3-carboxamide (CID 90155401) is N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)-6-(quinazolin-6-ylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)-6-(quinazolin-6-ylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)-6-(quinazolin-6-ylamino)pyridine-3-carboxamide is CC(C)(O)[C@H](F)CNC(=O)c1cnc(Nc2ccc3ncncc3c2)cc1NC1CCCOC1.
What is the InChIKey of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)-6-(quinazolin-6-ylamino)pyridine-3-carboxamide?
The InChIKey is OOGNRFKDGLCXJW-FBLFFUNLSA-N. The full InChI is InChI=1S/C24H29FN6O3/c1-24(2,33)21(25)12-28-23(32)18-11-27-22(9-20(18)30-17-4-3-7-34-13-17)31-16-5-6-19-15(8-16)10-26-14-29-19/h5-6,8-11,14,17,21,33H,3-4,7,12-13H2,1-2H3,(H,28,32)(H2,27,30,31)/t17?,21-/m1/s1.
What are the key properties of N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)-6-(quinazolin-6-ylamino)pyridine-3-carboxamide?
N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-4-(oxan-3-ylamino)-6-(quinazolin-6-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]-4-(oxan-3-ylamino)-6-(quinazolin-6-ylamino)pyridine-3-carboxamide is sourced from PubChem (CID 90155401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).