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

C23H23N5O2 — CID 70980223

IUPAC(2S)-2-(methylamino)-N-(2-oxo-1,3-diphenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(c1ccccc1)C(=O)N2c1ccccc1
InChIInChI=1S/C23H23N5O2/c1-16(24-2)22(29)26-21-14-13-20-19(25-21)15-27(17-9-5-3-6-10-17)23(30)28(20)18-11-7-4-8-12-18/h3-14,16,24H,15H2,1-2H3,(H,25,26,29)/t16-/m0/s1
InChIKeyPDTUOUCUVIKQME-INIZCTEOSA-N
MW401.47 g/mol
LogP3.91
Rot. Bonds5

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

(2S)-2-(methylamino)-N-(2-oxo-1,3-diphenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide (PubChem CID 70980223) has the molecular formula C23H23N5O2 and a molecular weight of 401.47 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-(2-oxo-1,3-diphenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-N-(2-oxo-1,3-diphenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide
PubChem CID70980223
Molecular FormulaC23H23N5O2
Molecular Weight401.47 g/mol
Exact Mass401.19
IUPAC Name(2S)-2-(methylamino)-N-(2-oxo-1,3-diphenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(c1ccccc1)C(=O)N2c1ccccc1
InChIInChI=1S/C23H23N5O2/c1-16(24-2)22(29)26-21-14-13-20-19(25-21)15-27(17-9-5-3-6-10-17)23(30)28(20)18-11-7-4-8-12-18/h3-14,16,24H,15H2,1-2H3,(H,25,26,29)/t16-/m0/s1
InChIKeyPDTUOUCUVIKQME-INIZCTEOSA-N
XLogP3.91
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.47
LogP ≤ 53.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-N-(2-oxo-1,3-diphenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide?
The IUPAC name of (2S)-2-(methylamino)-N-(2-oxo-1,3-diphenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide (CID 70980223) is (2S)-2-(methylamino)-N-(2-oxo-1,3-diphenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide.
What is the SMILES notation for (2S)-2-(methylamino)-N-(2-oxo-1,3-diphenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide?
The canonical SMILES for (2S)-2-(methylamino)-N-(2-oxo-1,3-diphenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide is CN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(c1ccccc1)C(=O)N2c1ccccc1.
What is the InChIKey of (2S)-2-(methylamino)-N-(2-oxo-1,3-diphenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide?
The InChIKey is PDTUOUCUVIKQME-INIZCTEOSA-N. The full InChI is InChI=1S/C23H23N5O2/c1-16(24-2)22(29)26-21-14-13-20-19(25-21)15-27(17-9-5-3-6-10-17)23(30)28(20)18-11-7-4-8-12-18/h3-14,16,24H,15H2,1-2H3,(H,25,26,29)/t16-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-N-(2-oxo-1,3-diphenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide?
(2S)-2-(methylamino)-N-(2-oxo-1,3-diphenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide has a molecular weight of 401.47 g/mol, XLogP of 3.91, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-N-(2-oxo-1,3-diphenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 70980223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).