2-hydroxy-8-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C14H17N3O3 — CID 135680987

IUPAC2-hydroxy-8-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NCC(C)C)c(O)nc2c1
InChIInChI=1S/C14H17N3O3/c1-8(2)7-15-12(18)11-13(19)16-10-6-9(3)4-5-17(10)14(11)20/h4-6,8,19H,7H2,1-3H3,(H,15,18)
InChIKeyIFTMTWSQYXFJOR-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.09
Rot. Bonds3

About 2-hydroxy-8-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

2-hydroxy-8-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135680987) has the molecular formula C14H17N3O3 and a molecular weight of 275.31 g/mol. Its IUPAC name is 2-hydroxy-8-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-8-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135680987
Molecular FormulaC14H17N3O3
Molecular Weight275.31 g/mol
Exact Mass275.13
IUPAC Name2-hydroxy-8-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NCC(C)C)c(O)nc2c1
InChIInChI=1S/C14H17N3O3/c1-8(2)7-15-12(18)11-13(19)16-10-6-9(3)4-5-17(10)14(11)20/h4-6,8,19H,7H2,1-3H3,(H,15,18)
InChIKeyIFTMTWSQYXFJOR-UHFFFAOYSA-N
XLogP1.09
TPSA83.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681047
3-Ethyl-4-hydroxypyrido[1,2-a]pyrimidin-2-one
CID 135419040
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 9-methyl-4-oxo-N-propyl-
CID 3079293
N-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135616971
2-hydroxy-8-methyl-4-oxo-N-[3-(2-oxopyrrolidin-1-yl)propyl]-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135617001
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-2-hydroxy-4-oxo-4H-pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135853285
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N,6-dimethyl-4-oxo-
CID 3079272
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-propyl-
CID 3079273
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-N-(1-methylethyl)-4-oxo-
CID 3079274
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-butyl-6-methyl-4-oxo-
CID 3079275
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-pentyl-
CID 3079277
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(2,2-dimethylpropyl)-6-methyl-4-oxo-
CID 3079278

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-8-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-8-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 135680987) is 2-hydroxy-8-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-8-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-8-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)NCC(C)C)c(O)nc2c1.
What is the InChIKey of 2-hydroxy-8-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is IFTMTWSQYXFJOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3/c1-8(2)7-15-12(18)11-13(19)16-10-6-9(3)4-5-17(10)14(11)20/h4-6,8,19H,7H2,1-3H3,(H,15,18).
What are the key properties of 2-hydroxy-8-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-8-methyl-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 275.31 g/mol, XLogP of 1.09, 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-N-(2-methylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135680987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).