2-hydroxy-8-methyl-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide

C18H17N3O3 — CID 135458483

IUPAC2-hydroxy-8-methyl-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NCCc3ccccc3)c(O)nc2c1
InChIInChI=1S/C18H17N3O3/c1-12-8-10-21-14(11-12)20-17(23)15(18(21)24)16(22)19-9-7-13-5-3-2-4-6-13/h2-6,8,10-11,23H,7,9H2,1H3,(H,19,22)
InChIKeyMDTVXGGQQBDPRD-UHFFFAOYSA-N
MW323.35 g/mol
LogP1.68
Rot. Bonds4

About 2-hydroxy-8-methyl-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide

2-hydroxy-8-methyl-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135458483) has the molecular formula C18H17N3O3 and a molecular weight of 323.35 g/mol. Its IUPAC name is 2-hydroxy-8-methyl-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-8-methyl-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135458483
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-hydroxy-8-methyl-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NCCc3ccccc3)c(O)nc2c1
InChIInChI=1S/C18H17N3O3/c1-12-8-10-21-14(11-12)20-17(23)15(18(21)24)16(22)19-9-7-13-5-3-2-4-6-13/h2-6,8,10-11,23H,7,9H2,1H3,(H,19,22)
InChIKeyMDTVXGGQQBDPRD-UHFFFAOYSA-N
XLogP1.68
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-8-methyl-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-8-methyl-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 135458483) is 2-hydroxy-8-methyl-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-8-methyl-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-8-methyl-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)NCCc3ccccc3)c(O)nc2c1.
What is the InChIKey of 2-hydroxy-8-methyl-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is MDTVXGGQQBDPRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-12-8-10-21-14(11-12)20-17(23)15(18(21)24)16(22)19-9-7-13-5-3-2-4-6-13/h2-6,8,10-11,23H,7,9H2,1H3,(H,19,22).
What are the key properties of 2-hydroxy-8-methyl-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-8-methyl-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-8-methyl-4-oxo-N-(2-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135458483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).