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

C18H20ClN5O2 — CID 70980796

IUPAC(2S)-N-[1-(4-chlorophenyl)-3-methyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(C)C(=O)N2c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN5O2/c1-11(20-2)17(25)22-16-9-8-15-14(21-16)10-23(3)18(26)24(15)13-6-4-12(19)5-7-13/h4-9,11,20H,10H2,1-3H3,(H,21,22,25)/t11-/m0/s1
InChIKeySOXBWWXKFGIPHB-NSHDSACASA-N
MW373.84 g/mol
LogP2.98
Rot. Bonds4

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

(2S)-N-[1-(4-chlorophenyl)-3-methyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide (PubChem CID 70980796) has the molecular formula C18H20ClN5O2 and a molecular weight of 373.84 g/mol. Its IUPAC name is (2S)-N-[1-(4-chlorophenyl)-3-methyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-[1-(4-chlorophenyl)-3-methyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
PubChem CID70980796
Molecular FormulaC18H20ClN5O2
Molecular Weight373.84 g/mol
Exact Mass373.13
IUPAC Name(2S)-N-[1-(4-chlorophenyl)-3-methyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(C)C(=O)N2c1ccc(Cl)cc1
InChIInChI=1S/C18H20ClN5O2/c1-11(20-2)17(25)22-16-9-8-15-14(21-16)10-23(3)18(26)24(15)13-6-4-12(19)5-7-13/h4-9,11,20H,10H2,1-3H3,(H,21,22,25)/t11-/m0/s1
InChIKeySOXBWWXKFGIPHB-NSHDSACASA-N
XLogP2.98
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.84
LogP ≤ 52.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (2S)-N-[1-(4-chlorophenyl)-3-methyl-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-methyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-[1-(4-chlorophenyl)-3-methyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide (CID 70980796) is (2S)-N-[1-(4-chlorophenyl)-3-methyl-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-methyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-[1-(4-chlorophenyl)-3-methyl-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(=O)N2c1ccc(Cl)cc1.
What is the InChIKey of (2S)-N-[1-(4-chlorophenyl)-3-methyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide?
The InChIKey is SOXBWWXKFGIPHB-NSHDSACASA-N. The full InChI is InChI=1S/C18H20ClN5O2/c1-11(20-2)17(25)22-16-9-8-15-14(21-16)10-23(3)18(26)24(15)13-6-4-12(19)5-7-13/h4-9,11,20H,10H2,1-3H3,(H,21,22,25)/t11-/m0/s1.
What are the key properties of (2S)-N-[1-(4-chlorophenyl)-3-methyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide?
(2S)-N-[1-(4-chlorophenyl)-3-methyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide has a molecular weight of 373.84 g/mol, XLogP of 2.98, 4 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-methyl-2-oxo-4H-pyrido[3,2-d]pyrimidin-6-yl]-2-(methylamino)propanamide is sourced from PubChem (CID 70980796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).