1-[3-[[(7-fluoro-6-methoxyquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide

C21H23FN6O2 — CID 86793900

IUPAC1-[3-[[(7-fluoro-6-methoxyquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESCOc1cc2c(NCc3cccnc3N3CCC(C(N)=O)CC3)ncnc2cc1F
InChIInChI=1S/C21H23FN6O2/c1-30-18-9-15-17(10-16(18)22)26-12-27-20(15)25-11-14-3-2-6-24-21(14)28-7-4-13(5-8-28)19(23)29/h2-3,6,9-10,12-13H,4-5,7-8,11H2,1H3,(H2,23,29)(H,25,26,27)
InChIKeyLGWZJMDWDSIHCH-UHFFFAOYSA-N
MW410.45 g/mol
LogP2.49
Rot. Bonds6

About 1-[3-[[(7-fluoro-6-methoxyquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide

1-[3-[[(7-fluoro-6-methoxyquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide (PubChem CID 86793900) has the molecular formula C21H23FN6O2 and a molecular weight of 410.45 g/mol. Its IUPAC name is 1-[3-[[(7-fluoro-6-methoxyquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[3-[[(7-fluoro-6-methoxyquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
PubChem CID86793900
Molecular FormulaC21H23FN6O2
Molecular Weight410.45 g/mol
Exact Mass410.19
IUPAC Name1-[3-[[(7-fluoro-6-methoxyquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide
SMILESCOc1cc2c(NCc3cccnc3N3CCC(C(N)=O)CC3)ncnc2cc1F
InChIInChI=1S/C21H23FN6O2/c1-30-18-9-15-17(10-16(18)22)26-12-27-20(15)25-11-14-3-2-6-24-21(14)28-7-4-13(5-8-28)19(23)29/h2-3,6,9-10,12-13H,4-5,7-8,11H2,1H3,(H2,23,29)(H,25,26,27)
InChIKeyLGWZJMDWDSIHCH-UHFFFAOYSA-N
XLogP2.49
TPSA106.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.45
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 1-[3-[[(7-fluoro-6-methoxyquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-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 1-[3-[[(7-fluoro-6-methoxyquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The IUPAC name of 1-[3-[[(7-fluoro-6-methoxyquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide (CID 86793900) is 1-[3-[[(7-fluoro-6-methoxyquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[3-[[(7-fluoro-6-methoxyquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[3-[[(7-fluoro-6-methoxyquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide is COc1cc2c(NCc3cccnc3N3CCC(C(N)=O)CC3)ncnc2cc1F.
What is the InChIKey of 1-[3-[[(7-fluoro-6-methoxyquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
The InChIKey is LGWZJMDWDSIHCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN6O2/c1-30-18-9-15-17(10-16(18)22)26-12-27-20(15)25-11-14-3-2-6-24-21(14)28-7-4-13(5-8-28)19(23)29/h2-3,6,9-10,12-13H,4-5,7-8,11H2,1H3,(H2,23,29)(H,25,26,27).
What are the key properties of 1-[3-[[(7-fluoro-6-methoxyquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide?
1-[3-[[(7-fluoro-6-methoxyquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide has a molecular weight of 410.45 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[[(7-fluoro-6-methoxyquinazolin-4-yl)amino]methyl]-2-pyridinyl]piperidine-4-carboxamide is sourced from PubChem (CID 86793900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).