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

C20H25N5O2 — CID 70980437

IUPAC(2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3-propyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide
SMILESCCCN1Cc2nc(NC(=O)[C@H](C)NC)ccc2N(c2ccccc2)C1=O
InChIInChI=1S/C20H25N5O2/c1-4-12-24-13-16-17(25(20(24)27)15-8-6-5-7-9-15)10-11-18(22-16)23-19(26)14(2)21-3/h5-11,14,21H,4,12-13H2,1-3H3,(H,22,23,26)/t14-/m0/s1
InChIKeyCGXRIGREXGFZPP-AWEZNQCLSA-N
MW367.45 g/mol
LogP3.11
Rot. Bonds6

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

(2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3-propyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide (PubChem CID 70980437) has the molecular formula C20H25N5O2 and a molecular weight of 367.45 g/mol. Its IUPAC name is (2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3-propyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide.

Molecular Properties

Compound Name(2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3-propyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide
PubChem CID70980437
Molecular FormulaC20H25N5O2
Molecular Weight367.45 g/mol
Exact Mass367.20
IUPAC Name(2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3-propyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide
SMILESCCCN1Cc2nc(NC(=O)[C@H](C)NC)ccc2N(c2ccccc2)C1=O
InChIInChI=1S/C20H25N5O2/c1-4-12-24-13-16-17(25(20(24)27)15-8-6-5-7-9-15)10-11-18(22-16)23-19(26)14(2)21-3/h5-11,14,21H,4,12-13H2,1-3H3,(H,22,23,26)/t14-/m0/s1
InChIKeyCGXRIGREXGFZPP-AWEZNQCLSA-N
XLogP3.11
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3-propyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide?
The IUPAC name of (2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3-propyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide (CID 70980437) is (2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3-propyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide.
What is the SMILES notation for (2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3-propyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide?
The canonical SMILES for (2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3-propyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide is CCCN1Cc2nc(NC(=O)[C@H](C)NC)ccc2N(c2ccccc2)C1=O.
What is the InChIKey of (2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3-propyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide?
The InChIKey is CGXRIGREXGFZPP-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H25N5O2/c1-4-12-24-13-16-17(25(20(24)27)15-8-6-5-7-9-15)10-11-18(22-16)23-19(26)14(2)21-3/h5-11,14,21H,4,12-13H2,1-3H3,(H,22,23,26)/t14-/m0/s1.
What are the key properties of (2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3-propyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide?
(2S)-2-(methylamino)-N-(2-oxo-1-phenyl-3-propyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide has a molecular weight of 367.45 g/mol, XLogP of 3.11, 6 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-phenyl-3-propyl-4H-pyrido[3,2-d]pyrimidin-6-yl)propanamide is sourced from PubChem (CID 70980437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).