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

C24H25N5O2 — CID 70980212

IUPAC(2S)-N-(3-benzyl-2-oxo-1-phenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(Cc1ccccc1)C(=O)N2c1ccccc1
InChIInChI=1S/C24H25N5O2/c1-17(25-2)23(30)27-22-14-13-21-20(26-22)16-28(15-18-9-5-3-6-10-18)24(31)29(21)19-11-7-4-8-12-19/h3-14,17,25H,15-16H2,1-2H3,(H,26,27,30)/t17-/m0/s1
InChIKeyLQZCVYZRPROIBR-KRWDZBQOSA-N
MW415.50 g/mol
LogP3.90
Rot. Bonds6

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

(2S)-N-(3-benzyl-2-oxo-1-phenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide (PubChem CID 70980212) has the molecular formula C24H25N5O2 and a molecular weight of 415.50 g/mol. Its IUPAC name is (2S)-N-(3-benzyl-2-oxo-1-phenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide.

Molecular Properties

Compound Name(2S)-N-(3-benzyl-2-oxo-1-phenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide
PubChem CID70980212
Molecular FormulaC24H25N5O2
Molecular Weight415.50 g/mol
Exact Mass415.20
IUPAC Name(2S)-N-(3-benzyl-2-oxo-1-phenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(Cc1ccccc1)C(=O)N2c1ccccc1
InChIInChI=1S/C24H25N5O2/c1-17(25-2)23(30)27-22-14-13-21-20(26-22)16-28(15-18-9-5-3-6-10-18)24(31)29(21)19-11-7-4-8-12-19/h3-14,17,25H,15-16H2,1-2H3,(H,26,27,30)/t17-/m0/s1
InChIKeyLQZCVYZRPROIBR-KRWDZBQOSA-N
XLogP3.90
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.50
LogP ≤ 53.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-benzyl-2-oxo-1-phenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide?
The IUPAC name of (2S)-N-(3-benzyl-2-oxo-1-phenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide (CID 70980212) is (2S)-N-(3-benzyl-2-oxo-1-phenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide.
What is the SMILES notation for (2S)-N-(3-benzyl-2-oxo-1-phenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide?
The canonical SMILES for (2S)-N-(3-benzyl-2-oxo-1-phenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide is CN[C@@H](C)C(=O)Nc1ccc2c(n1)CN(Cc1ccccc1)C(=O)N2c1ccccc1.
What is the InChIKey of (2S)-N-(3-benzyl-2-oxo-1-phenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide?
The InChIKey is LQZCVYZRPROIBR-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H25N5O2/c1-17(25-2)23(30)27-22-14-13-21-20(26-22)16-28(15-18-9-5-3-6-10-18)24(31)29(21)19-11-7-4-8-12-19/h3-14,17,25H,15-16H2,1-2H3,(H,26,27,30)/t17-/m0/s1.
What are the key properties of (2S)-N-(3-benzyl-2-oxo-1-phenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide?
(2S)-N-(3-benzyl-2-oxo-1-phenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide has a molecular weight of 415.50 g/mol, XLogP of 3.90, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-benzyl-2-oxo-1-phenyl-4H-pyrido[3,2-d]pyrimidin-6-yl)-2-(methylamino)propanamide is sourced from PubChem (CID 70980212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).