N-(5-amino-2-pyridinyl)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanamide

C22H24FN5O2 — CID 67490342

IUPACN-(5-amino-2-pyridinyl)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanamide
SMILESNc1ccc(NC(=O)C(CC2CCCCC2)n2cnc3ccc(F)cc3c2=O)nc1
InChIInChI=1S/C22H24FN5O2/c23-15-6-8-18-17(11-15)22(30)28(13-26-18)19(10-14-4-2-1-3-5-14)21(29)27-20-9-7-16(24)12-25-20/h6-9,11-14,19H,1-5,10,24H2,(H,25,27,29)
InChIKeyRGHBXWCRWDMLEM-UHFFFAOYSA-N
MW409.47 g/mol
LogP3.66
Rot. Bonds5

About N-(5-amino-2-pyridinyl)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanamide

N-(5-amino-2-pyridinyl)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanamide (PubChem CID 67490342) has the molecular formula C22H24FN5O2 and a molecular weight of 409.47 g/mol. Its IUPAC name is N-(5-amino-2-pyridinyl)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanamide.

Molecular Properties

Compound NameN-(5-amino-2-pyridinyl)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanamide
PubChem CID67490342
Molecular FormulaC22H24FN5O2
Molecular Weight409.47 g/mol
Exact Mass409.19
IUPAC NameN-(5-amino-2-pyridinyl)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanamide
SMILESNc1ccc(NC(=O)C(CC2CCCCC2)n2cnc3ccc(F)cc3c2=O)nc1
InChIInChI=1S/C22H24FN5O2/c23-15-6-8-18-17(11-15)22(30)28(13-26-18)19(10-14-4-2-1-3-5-14)21(29)27-20-9-7-16(24)12-25-20/h6-9,11-14,19H,1-5,10,24H2,(H,25,27,29)
InChIKeyRGHBXWCRWDMLEM-UHFFFAOYSA-N
XLogP3.66
TPSA102.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.47
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-amino-2-pyridinyl)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanamide 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 N-(5-amino-2-pyridinyl)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanamide?
The IUPAC name of N-(5-amino-2-pyridinyl)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanamide (CID 67490342) is N-(5-amino-2-pyridinyl)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanamide.
What is the SMILES notation for N-(5-amino-2-pyridinyl)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanamide?
The canonical SMILES for N-(5-amino-2-pyridinyl)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanamide is Nc1ccc(NC(=O)C(CC2CCCCC2)n2cnc3ccc(F)cc3c2=O)nc1.
What is the InChIKey of N-(5-amino-2-pyridinyl)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanamide?
The InChIKey is RGHBXWCRWDMLEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24FN5O2/c23-15-6-8-18-17(11-15)22(30)28(13-26-18)19(10-14-4-2-1-3-5-14)21(29)27-20-9-7-16(24)12-25-20/h6-9,11-14,19H,1-5,10,24H2,(H,25,27,29).
What are the key properties of N-(5-amino-2-pyridinyl)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanamide?
N-(5-amino-2-pyridinyl)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanamide has a molecular weight of 409.47 g/mol, XLogP of 3.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-2-pyridinyl)-3-cyclohexyl-2-(6-fluoro-4-oxoquinazolin-3-yl)propanamide is sourced from PubChem (CID 67490342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).