(2S)-N-[1-(4-chlorophenyl)-3-(4-methylpentan-2-yl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide

C23H30ClN5O2 — CID 70980666

IUPAC(2S)-N-[1-(4-chlorophenyl)-3-(4-methylpentan-2-yl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(C(C)CC(C)C)C(=O)N2c1ccc(Cl)cc1
InChIInChI=1S/C23H30ClN5O2/c1-14(2)12-15(3)28-13-19-20(10-11-21(26-19)27-22(30)16(4)25-5)29(23(28)31)18-8-6-17(24)7-9-18/h6-11,14-16,25H,12-13H2,1-5H3,(H,26,27,30)/t15?,16-/m0/s1
InChIKeyIWQCYLBUROOEFW-LYKKTTPLSA-N
MW443.98 g/mol
LogP4.79
Rot. Bonds7

About (2S)-N-[1-(4-chlorophenyl)-3-(4-methylpentan-2-yl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide

(2S)-N-[1-(4-chlorophenyl)-3-(4-methylpentan-2-yl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide (PubChem CID 70980666) has the molecular formula C23H30ClN5O2 and a molecular weight of 443.98 g/mol. Its IUPAC name is (2S)-N-[1-(4-chlorophenyl)-3-(4-methylpentan-2-yl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[1-(4-chlorophenyl)-3-(4-methylpentan-2-yl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
PubChem CID70980666
Molecular FormulaC23H30ClN5O2
Molecular Weight443.98 g/mol
Exact Mass443.21
IUPAC Name(2S)-N-[1-(4-chlorophenyl)-3-(4-methylpentan-2-yl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(C(C)CC(C)C)C(=O)N2c1ccc(Cl)cc1
InChIInChI=1S/C23H30ClN5O2/c1-14(2)12-15(3)28-13-19-20(10-11-21(26-19)27-22(30)16(4)25-5)29(23(28)31)18-8-6-17(24)7-9-18/h6-11,14-16,25H,12-13H2,1-5H3,(H,26,27,30)/t15?,16-/m0/s1
InChIKeyIWQCYLBUROOEFW-LYKKTTPLSA-N
XLogP4.79
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.98
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[1-(4-chlorophenyl)-3-(4-methylpentan-2-yl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)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 (2S)-N-[1-(4-chlorophenyl)-3-(4-methylpentan-2-yl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-[1-(4-chlorophenyl)-3-(4-methylpentan-2-yl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide (CID 70980666) is (2S)-N-[1-(4-chlorophenyl)-3-(4-methylpentan-2-yl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-[1-(4-chlorophenyl)-3-(4-methylpentan-2-yl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-[1-(4-chlorophenyl)-3-(4-methylpentan-2-yl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide is CN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(C(C)CC(C)C)C(=O)N2c1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-[1-(4-chlorophenyl)-3-(4-methylpentan-2-yl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide?
The InChIKey is IWQCYLBUROOEFW-LYKKTTPLSA-N. The full InChI is InChI=1S/C23H30ClN5O2/c1-14(2)12-15(3)28-13-19-20(10-11-21(26-19)27-22(30)16(4)25-5)29(23(28)31)18-8-6-17(24)7-9-18/h6-11,14-16,25H,12-13H2,1-5H3,(H,26,27,30)/t15?,16-/m0/s1.
What are the key properties of (2S)-N-[1-(4-chlorophenyl)-3-(4-methylpentan-2-yl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide?
(2S)-N-[1-(4-chlorophenyl)-3-(4-methylpentan-2-yl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide has a molecular weight of 443.98 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[1-(4-chlorophenyl)-3-(4-methylpentan-2-yl)-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide is sourced from PubChem (CID 70980666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).