N-butyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C16H22N4O3 — CID 121384970

IUPACN-butyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCNC(=O)c1cnc2c(O)c(CN(C)C)ccn2c1=O
InChIInChI=1S/C16H22N4O3/c1-4-5-7-17-15(22)12-9-18-14-13(21)11(10-19(2)3)6-8-20(14)16(12)23/h6,8-9,21H,4-5,7,10H2,1-3H3,(H,17,22)
InChIKeyZFMWZEXLXSUSLN-UHFFFAOYSA-N
MW318.38 g/mol
LogP0.99
Rot. Bonds6

About N-butyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-butyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 121384970) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is N-butyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-butyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID121384970
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC NameN-butyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCNC(=O)c1cnc2c(O)c(CN(C)C)ccn2c1=O
InChIInChI=1S/C16H22N4O3/c1-4-5-7-17-15(22)12-9-18-14-13(21)11(10-19(2)3)6-8-20(14)16(12)23/h6,8-9,21H,4-5,7,10H2,1-3H3,(H,17,22)
InChIKeyZFMWZEXLXSUSLN-UHFFFAOYSA-N
XLogP0.99
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 50.99
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

3-acetyl-8-[(dimethylamino)methyl]-9-hydroxypyrido[1,2-a]pyrimidin-4-one
CID 130433396
ethyl 8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxylate
CID 121384978
N-butyl-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364466
8-methyl-N-[3-(methylamino)propyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 119430115
9-hydroxy-N-[2-(2-methylpropylsulfonyl)ethyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 74234390
9-methyl-4-oxo-N-(2-pyrrolidin-1-ylethyl)pyrido[1,2-a]pyrimidine-3-carboxamide
CID 46364468
N-[2-(azepan-1-yl)ethyl]-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 20886611
N-[2-(ethylamino)ethyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide;hydrochloride
CID 119505266
ethane;9-hydroxy-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 145092548
N-[(2,5-dimethylphenyl)methyl]-N,9-dimethyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 136536200
N-hexyl-5-oxo-2,3-dihydro-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxamide
CID 44774982
N-(1-aminohexan-2-yl)-9-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 154762719

Frequently Asked Questions

What is the IUPAC name of N-butyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-butyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 121384970) is N-butyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-butyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-butyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCCCNC(=O)c1cnc2c(O)c(CN(C)C)ccn2c1=O.
What is the InChIKey of N-butyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is ZFMWZEXLXSUSLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-4-5-7-17-15(22)12-9-18-14-13(21)11(10-19(2)3)6-8-20(14)16(12)23/h6,8-9,21H,4-5,7,10H2,1-3H3,(H,17,22).
What are the key properties of N-butyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-butyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 318.38 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-8-[(dimethylamino)methyl]-9-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121384970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).