1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidine-4-carboxamide

C20H21FN6O — CID 90054899

IUPAC1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2cc(F)cc(-c3ccc4ncnc(N)c4n3)c2)CC1
InChIInChI=1S/C20H21FN6O/c21-15-8-12(10-27-5-3-13(4-6-27)20(23)28)7-14(9-15)16-1-2-17-18(26-16)19(22)25-11-24-17/h1-2,7-9,11,13H,3-6,10H2,(H2,23,28)(H2,22,24,25)
InChIKeyCVZRDZHQIMMTRL-UHFFFAOYSA-N
MW380.43 g/mol
LogP2.11
Rot. Bonds4

About 1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidine-4-carboxamide

1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidine-4-carboxamide (PubChem CID 90054899) has the molecular formula C20H21FN6O and a molecular weight of 380.43 g/mol. Its IUPAC name is 1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidine-4-carboxamide
PubChem CID90054899
Molecular FormulaC20H21FN6O
Molecular Weight380.43 g/mol
Exact Mass380.18
IUPAC Name1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidine-4-carboxamide
SMILESNC(=O)C1CCN(Cc2cc(F)cc(-c3ccc4ncnc(N)c4n3)c2)CC1
InChIInChI=1S/C20H21FN6O/c21-15-8-12(10-27-5-3-13(4-6-27)20(23)28)7-14(9-15)16-1-2-17-18(26-16)19(22)25-11-24-17/h1-2,7-9,11,13H,3-6,10H2,(H2,23,28)(H2,22,24,25)
InChIKeyCVZRDZHQIMMTRL-UHFFFAOYSA-N
XLogP2.11
TPSA111.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.43
LogP ≤ 52.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]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-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidine-4-carboxamide?
The IUPAC name of 1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidine-4-carboxamide (CID 90054899) is 1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidine-4-carboxamide is NC(=O)C1CCN(Cc2cc(F)cc(-c3ccc4ncnc(N)c4n3)c2)CC1.
What is the InChIKey of 1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidine-4-carboxamide?
The InChIKey is CVZRDZHQIMMTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21FN6O/c21-15-8-12(10-27-5-3-13(4-6-27)20(23)28)7-14(9-15)16-1-2-17-18(26-16)19(22)25-11-24-17/h1-2,7-9,11,13H,3-6,10H2,(H2,23,28)(H2,22,24,25).
What are the key properties of 1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidine-4-carboxamide?
1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidine-4-carboxamide has a molecular weight of 380.43 g/mol, XLogP of 2.11, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(4-aminopyrido[3,2-d]pyrimidin-6-yl)-5-fluorophenyl]methyl]piperidine-4-carboxamide is sourced from PubChem (CID 90054899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).