N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]quinoline-2-carboxamide

C21H20N6O2 — CID 70234249

IUPACN-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]quinoline-2-carboxamide
SMILESCN1C(=O)CC(C)(c2cc(NC(=O)c3ccc4ccccc4n3)ccn2)N=C1N
InChIInChI=1S/C21H20N6O2/c1-21(12-18(28)27(2)20(22)26-21)17-11-14(9-10-23-17)24-19(29)16-8-7-13-5-3-4-6-15(13)25-16/h3-11H,12H2,1-2H3,(H2,22,26)(H,23,24,29)
InChIKeyAWNBZHVTTDJUOW-UHFFFAOYSA-N
MW388.43 g/mol
LogP2.27
Rot. Bonds3

About N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]quinoline-2-carboxamide

N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]quinoline-2-carboxamide (PubChem CID 70234249) has the molecular formula C21H20N6O2 and a molecular weight of 388.43 g/mol. Its IUPAC name is N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]quinoline-2-carboxamide.

Molecular Properties

Compound NameN-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]quinoline-2-carboxamide
PubChem CID70234249
Molecular FormulaC21H20N6O2
Molecular Weight388.43 g/mol
Exact Mass388.16
IUPAC NameN-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]quinoline-2-carboxamide
SMILESCN1C(=O)CC(C)(c2cc(NC(=O)c3ccc4ccccc4n3)ccn2)N=C1N
InChIInChI=1S/C21H20N6O2/c1-21(12-18(28)27(2)20(22)26-21)17-11-14(9-10-23-17)24-19(29)16-8-7-13-5-3-4-6-15(13)25-16/h3-11H,12H2,1-2H3,(H2,22,26)(H,23,24,29)
InChIKeyAWNBZHVTTDJUOW-UHFFFAOYSA-N
XLogP2.27
TPSA113.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.43
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]quinoline-2-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 N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]quinoline-2-carboxamide?
The IUPAC name of N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]quinoline-2-carboxamide (CID 70234249) is N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]quinoline-2-carboxamide.
What is the SMILES notation for N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]quinoline-2-carboxamide?
The canonical SMILES for N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]quinoline-2-carboxamide is CN1C(=O)CC(C)(c2cc(NC(=O)c3ccc4ccccc4n3)ccn2)N=C1N.
What is the InChIKey of N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]quinoline-2-carboxamide?
The InChIKey is AWNBZHVTTDJUOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O2/c1-21(12-18(28)27(2)20(22)26-21)17-11-14(9-10-23-17)24-19(29)16-8-7-13-5-3-4-6-15(13)25-16/h3-11H,12H2,1-2H3,(H2,22,26)(H,23,24,29).
What are the key properties of N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]quinoline-2-carboxamide?
N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]quinoline-2-carboxamide has a molecular weight of 388.43 g/mol, XLogP of 2.27, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-1,4-dimethyl-6-oxo-5H-pyrimidin-4-yl)-4-pyridinyl]quinoline-2-carboxamide is sourced from PubChem (CID 70234249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).