N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C18H25N3O3 — CID 110000461

IUPACN-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)N(CCCO)CC(C)(C)C)c(=O)n2c1
InChIInChI=1S/C18H25N3O3/c1-13-6-7-15-19-10-14(17(24)21(15)11-13)16(23)20(8-5-9-22)12-18(2,3)4/h6-7,10-11,22H,5,8-9,12H2,1-4H3
InChIKeyTWBLRHGXFQPMCZ-UHFFFAOYSA-N
MW331.42 g/mol
LogP1.87
Rot. Bonds5

About N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 110000461) has the molecular formula C18H25N3O3 and a molecular weight of 331.42 g/mol. Its IUPAC name is N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID110000461
Molecular FormulaC18H25N3O3
Molecular Weight331.42 g/mol
Exact Mass331.19
IUPAC NameN-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCc1ccc2ncc(C(=O)N(CCCO)CC(C)(C)C)c(=O)n2c1
InChIInChI=1S/C18H25N3O3/c1-13-6-7-15-19-10-14(17(24)21(15)11-13)16(23)20(8-5-9-22)12-18(2,3)4/h6-7,10-11,22H,5,8-9,12H2,1-4H3
InChIKeyTWBLRHGXFQPMCZ-UHFFFAOYSA-N
XLogP1.87
TPSA74.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 42890836
5-(3-Hydroxypropyl)-14-methyl-1,5,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),9,11,13-tetraen-2-one
CID 13902255
N-butyl-N,7-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 45872007
8-methyl-4-oxo-N,N-bis(prop-2-enyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 60548090
N-(3-hydroxypropyl)-4-oxo-N-propan-2-ylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 61038580
2-[[3-Hydroxypropyl(propan-2-yl)amino]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 62016189
N-(3-hydroxy-2,2-dimethylpropyl)-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 81648447
7-Methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 86923136
N-(3-hydroxy-2,2,4-trimethylpentyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 109381170
N-(2-hydroxyethyl)-7-methyl-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 109620579
N-(2-hydroxyethyl)-8-methyl-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide
CID 109620698
N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 109628523

Frequently Asked Questions

What is the IUPAC name of N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 110000461) is N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is Cc1ccc2ncc(C(=O)N(CCCO)CC(C)(C)C)c(=O)n2c1.
What is the InChIKey of N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is TWBLRHGXFQPMCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N3O3/c1-13-6-7-15-19-10-14(17(24)21(15)11-13)16(23)20(8-5-9-22)12-18(2,3)4/h6-7,10-11,22H,5,8-9,12H2,1-4H3.
What are the key properties of N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 331.42 g/mol, XLogP of 1.87, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,2-dimethylpropyl)-N-(3-hydroxypropyl)-7-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 110000461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).