4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide

C22H27FN6O3 — CID 90155307

IUPAC4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide
SMILESCCNc1cc(Nc2ccc3ncnc(OC)c3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O
InChIInChI=1S/C22H27FN6O3/c1-5-24-17-9-19(25-10-15(17)20(30)26-11-18(23)22(2,3)31)29-13-6-7-16-14(8-13)21(32-4)28-12-27-16/h6-10,12,18,31H,5,11H2,1-4H3,(H,26,30)(H2,24,25,29)/t18-/m1/s1
InChIKeyMOTCSBXPRQSBKL-GOSISDBHSA-N
MW442.50 g/mol
LogP3.05
Rot. Bonds9

About 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide

4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide (PubChem CID 90155307) has the molecular formula C22H27FN6O3 and a molecular weight of 442.50 g/mol. Its IUPAC name is 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide
PubChem CID90155307
Molecular FormulaC22H27FN6O3
Molecular Weight442.50 g/mol
Exact Mass442.21
IUPAC Name4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide
SMILESCCNc1cc(Nc2ccc3ncnc(OC)c3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O
InChIInChI=1S/C22H27FN6O3/c1-5-24-17-9-19(25-10-15(17)20(30)26-11-18(23)22(2,3)31)29-13-6-7-16-14(8-13)21(32-4)28-12-27-16/h6-10,12,18,31H,5,11H2,1-4H3,(H,26,30)(H2,24,25,29)/t18-/m1/s1
InChIKeyMOTCSBXPRQSBKL-GOSISDBHSA-N
XLogP3.05
TPSA121.29 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.50
LogP ≤ 53.05
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Analyze 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-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

Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide?
The IUPAC name of 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide (CID 90155307) is 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide?
The canonical SMILES for 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide is CCNc1cc(Nc2ccc3ncnc(OC)c3c2)ncc1C(=O)NC[C@@H](F)C(C)(C)O.
What is the InChIKey of 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide?
The InChIKey is MOTCSBXPRQSBKL-GOSISDBHSA-N. The full InChI is InChI=1S/C22H27FN6O3/c1-5-24-17-9-19(25-10-15(17)20(30)26-11-18(23)22(2,3)31)29-13-6-7-16-14(8-13)21(32-4)28-12-27-16/h6-10,12,18,31H,5,11H2,1-4H3,(H,26,30)(H2,24,25,29)/t18-/m1/s1.
What are the key properties of 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide?
4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide has a molecular weight of 442.50 g/mol, XLogP of 3.05, 9 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-N-[(2R)-2-fluoro-3-hydroxy-3-methylbutyl]-6-[(4-methoxyquinazolin-6-yl)amino]pyridine-3-carboxamide is sourced from PubChem (CID 90155307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).