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

C16H21N3O4 — CID 135680993

IUPAC2-hydroxy-8-methyl-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NCCCOC(C)C)c(O)nc2c1
InChIInChI=1S/C16H21N3O4/c1-10(2)23-8-4-6-17-14(20)13-15(21)18-12-9-11(3)5-7-19(12)16(13)22/h5,7,9-10,21H,4,6,8H2,1-3H3,(H,17,20)
InChIKeyNTWUXDXVRYBVIA-UHFFFAOYSA-N
MW319.36 g/mol
LogP1.25
Rot. Bonds6

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

2-hydroxy-8-methyl-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 135680993) has the molecular formula C16H21N3O4 and a molecular weight of 319.36 g/mol. Its IUPAC name is 2-hydroxy-8-methyl-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name2-hydroxy-8-methyl-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID135680993
Molecular FormulaC16H21N3O4
Molecular Weight319.36 g/mol
Exact Mass319.15
IUPAC Name2-hydroxy-8-methyl-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccn2c(=O)c(C(=O)NCCCOC(C)C)c(O)nc2c1
InChIInChI=1S/C16H21N3O4/c1-10(2)23-8-4-6-17-14(20)13-15(21)18-12-9-11(3)5-7-19(12)16(13)22/h5,7,9-10,21H,4,6,8H2,1-3H3,(H,17,20)
InChIKeyNTWUXDXVRYBVIA-UHFFFAOYSA-N
XLogP1.25
TPSA92.93 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.36
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-hydroxy-8-methyl-N-nonyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136790861
N-(cyclohexylmethyl)-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136790855
N-[(4-chlorophenyl)methyl]-2-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681007
2-hydroxy-8-methyl-4-oxo-N-(4-phenylbutan-2-yl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681014
2,4-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 56920695
4-methyl-N-(3-propan-2-yloxypropyl)benzamide
CID 58973544
2-hydroxy-8-methyl-N-[(1R,2R)-2-methylcyclohexyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135891700
2-hydroxy-8-methyl-4-oxo-N-[(1S,5R)-3,3,5-trimethylcyclohexyl]pyrido[1,2-a]pyrimidine-3-carboxamide
CID 135891699
3,5-dimethyl-N-(3-propan-2-yloxypropyl)benzamide
CID 54385024
6,10-dimethyl-2-oxo-N-(3-propan-2-yloxypropyl)-1,6,8-triazatricyclo[7.4.0.03,7]trideca-3(7),4,8,10,12-pentaene-5-carboxamide
CID 5001194
2-(5-methyl-1,3-dioxoisoindol-2-yl)-N-(3-propan-2-yloxypropyl)acetamide
CID 39710283
8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119430115

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-8-methyl-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 2-hydroxy-8-methyl-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide (CID 135680993) is 2-hydroxy-8-methyl-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 2-hydroxy-8-methyl-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 2-hydroxy-8-methyl-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccn2c(=O)c(C(=O)NCCCOC(C)C)c(O)nc2c1.
What is the InChIKey of 2-hydroxy-8-methyl-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is NTWUXDXVRYBVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O4/c1-10(2)23-8-4-6-17-14(20)13-15(21)18-12-9-11(3)5-7-19(12)16(13)22/h5,7,9-10,21H,4,6,8H2,1-3H3,(H,17,20).
What are the key properties of 2-hydroxy-8-methyl-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide?
2-hydroxy-8-methyl-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 319.36 g/mol, XLogP of 1.25, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-8-methyl-4-oxo-N-(3-propan-2-yloxypropyl)pyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 135680993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).