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

C17H19N5O2 — CID 70979938

IUPAC(2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2c(n1)CNC(=O)N2c1ccccc1
InChIInChI=1S/C17H19N5O2/c1-11(18-2)16(23)21-15-9-8-14-13(20-15)10-19-17(24)22(14)12-6-4-3-5-7-12/h3-9,11,18H,10H2,1-2H3,(H,19,24)(H,20,21,23)/t11-/m0/s1
InChIKeyOXRSMRVXHWVPGN-NSHDSACASA-N
MW325.37 g/mol
LogP1.99
Rot. Bonds4

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

(2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide (PubChem CID 70979938) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide
PubChem CID70979938
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name(2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide
SMILESCN[C@@H](C)C(=O)Nc1ccc2c(n1)CNC(=O)N2c1ccccc1
InChIInChI=1S/C17H19N5O2/c1-11(18-2)16(23)21-15-9-8-14-13(20-15)10-19-17(24)22(14)12-6-4-3-5-7-12/h3-9,11,18H,10H2,1-2H3,(H,19,24)(H,20,21,23)/t11-/m0/s1
InChIKeyOXRSMRVXHWVPGN-NSHDSACASA-N
XLogP1.99
TPSA86.36 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide?
The IUPAC name of (2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide (CID 70979938) is (2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide.
What is the SMILES notation for (2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide?
The canonical SMILES for (2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide is CN[C@@H](C)C(=O)Nc1ccc2c(n1)CNC(=O)N2c1ccccc1.
What is the InChIKey of (2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide?
The InChIKey is OXRSMRVXHWVPGN-NSHDSACASA-N. The full InChI is InChI=1S/C17H19N5O2/c1-11(18-2)16(23)21-15-9-8-14-13(20-15)10-19-17(24)22(14)12-6-4-3-5-7-12/h3-9,11,18H,10H2,1-2H3,(H,19,24)(H,20,21,23)/t11-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide?
(2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide has a molecular weight of 325.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3,4-dihydropyrido[3,2-d]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 70979938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).