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

C18H17N3O3 — CID 135458482

IUPAC2-hydroxy-8-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NC(C)c3ccccc3)c(O)nc2c1
InChIInChI=1S/C18H17N3O3/c1-11-8-9-21-14(10-11)20-17(23)15(18(21)24)16(22)19-12(2)13-6-4-3-5-7-13/h3-10,12,23H,1-2H3,(H,19,22)
InChIKeyXATJDYCUACCJDE-UHFFFAOYSA-N
MW323.35 g/mol
LogP2.20
Rot. Bonds3

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

2-hydroxy-8-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135458482) 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-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-8-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135458482
Molecular FormulaC18H17N3O3
Molecular Weight323.35 g/mol
Exact Mass323.13
IUPAC Name2-hydroxy-8-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NC(C)c3ccccc3)c(O)nc2c1
InChIInChI=1S/C18H17N3O3/c1-11-8-9-21-14(10-11)20-17(23)15(18(21)24)16(22)19-12(2)13-6-4-3-5-7-13/h3-10,12,23H,1-2H3,(H,19,22)
InChIKeyXATJDYCUACCJDE-UHFFFAOYSA-N
XLogP2.20
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.35
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-Imino-8-methyl-10-oxo-1-phenethyl-1,10-dihydro-2H-1,9,10a-triaza-anthracene-3-carboxylic acid cyclopentylamide
CID 1077317
N-ethyl-2-imino-10-methyl-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 660368
6-imino-2-oxo-N-(1-phenylethyl)-7-propyl-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 3151369
N-Allyl-2-imino-10-methyl-5-oxo-1-(2-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide
CID 4370685
2-imino-10-methyl-5-oxo-1-phenethyl-N-(1-phenylethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 5221469
7-benzyl-6-imino-2-oxo-N-[(1S)-1-phenylethyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 1320906
[2-imino-5-oxo-1-benzyl(1,6-dihydropyridino[1,2-a]pyridino[2,3-d]pyrimidin-3-y l)]-N-(2-phenylethyl)carboxamide
CID 3711050
7-benzyl-6-imino-2-oxo-N-(3-phenylpropyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 145965928
7-benzyl-13-chloro-6-imino-2-oxo-N-[(1S)-1-phenylethyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 145968492
7-benzyl-6-imino-13-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 145972389
7-benzyl-6-imino-12-methyl-2-oxo-N-[(1S)-1-phenylethyl]-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
CID 145978394
N-cyclohexyl{1-[(4-fluorophenyl)methyl]-2-imino-10-methyl-5-oxo(1,6-dihydropyr idino[2,3-d]pyridino[1,2-a]pyrimidin-3-yl)}carboxamide
CID 3470615

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-8-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-8-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 135458482) is 2-hydroxy-8-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-8-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-8-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)NC(C)c3ccccc3)c(O)nc2c1.
What is the InChIKey of 2-hydroxy-8-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is XATJDYCUACCJDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3/c1-11-8-9-21-14(10-11)20-17(23)15(18(21)24)16(22)19-12(2)13-6-4-3-5-7-13/h3-10,12,23H,1-2H3,(H,19,22).
What are the key properties of 2-hydroxy-8-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-8-methyl-4-oxo-N-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 323.35 g/mol, XLogP of 2.20, 3 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-(1-phenylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135458482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).