(2R)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

C19H19N5O2 — CID 95301280

IUPAC(2R)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
SMILESCc1cc(NC(=O)[C@@H](c2ccccc2)N2CCc3cncnc3C2)no1
InChIInChI=1S/C19H19N5O2/c1-13-9-17(23-26-13)22-19(25)18(14-5-3-2-4-6-14)24-8-7-15-10-20-12-21-16(15)11-24/h2-6,9-10,12,18H,7-8,11H2,1H3,(H,22,23,25)/t18-/m1/s1
InChIKeySWWSLECVDMNLES-GOSISDBHSA-N
MW349.39 g/mol
LogP2.51
Rot. Bonds4

About (2R)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide

(2R)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide (PubChem CID 95301280) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is (2R)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
PubChem CID95301280
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name(2R)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
SMILESCc1cc(NC(=O)[C@@H](c2ccccc2)N2CCc3cncnc3C2)no1
InChIInChI=1S/C19H19N5O2/c1-13-9-17(23-26-13)22-19(25)18(14-5-3-2-4-6-14)24-8-7-15-10-20-12-21-16(15)11-24/h2-6,9-10,12,18H,7-8,11H2,1H3,(H,22,23,25)/t18-/m1/s1
InChIKeySWWSLECVDMNLES-GOSISDBHSA-N
XLogP2.51
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The IUPAC name of (2R)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide (CID 95301280) is (2R)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide.
What is the SMILES notation for (2R)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The canonical SMILES for (2R)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide is Cc1cc(NC(=O)[C@@H](c2ccccc2)N2CCc3cncnc3C2)no1.
What is the InChIKey of (2R)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
The InChIKey is SWWSLECVDMNLES-GOSISDBHSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-13-9-17(23-26-13)22-19(25)18(14-5-3-2-4-6-14)24-8-7-15-10-20-12-21-16(15)11-24/h2-6,9-10,12,18H,7-8,11H2,1H3,(H,22,23,25)/t18-/m1/s1.
What are the key properties of (2R)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide?
(2R)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide has a molecular weight of 349.39 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide is sourced from PubChem (CID 95301280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).