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

C17H24N4O3 — CID 121385080

IUPAC8-[(dimethylamino)methyl]-9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCCNC(=O)c1cnc2c(O)c(CN(C)C)ccn2c1=O
InChIInChI=1S/C17H24N4O3/c1-4-5-6-8-18-16(23)13-10-19-15-14(22)12(11-20(2)3)7-9-21(15)17(13)24/h7,9-10,22H,4-6,8,11H2,1-3H3,(H,18,23)
InChIKeyLWYJPZZILKEYSN-UHFFFAOYSA-N
MW332.40 g/mol
LogP1.38
Rot. Bonds7

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

8-[(dimethylamino)methyl]-9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 121385080) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is 8-[(dimethylamino)methyl]-9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound Name8-[(dimethylamino)methyl]-9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID121385080
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name8-[(dimethylamino)methyl]-9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCCNC(=O)c1cnc2c(O)c(CN(C)C)ccn2c1=O
InChIInChI=1S/C17H24N4O3/c1-4-5-6-8-18-16(23)13-10-19-15-14(22)12(11-20(2)3)7-9-21(15)17(13)24/h7,9-10,22H,4-6,8,11H2,1-3H3,(H,18,23)
InChIKeyLWYJPZZILKEYSN-UHFFFAOYSA-N
XLogP1.38
TPSA86.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 51.38
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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Frequently Asked Questions

What is the IUPAC name of 8-[(dimethylamino)methyl]-9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of 8-[(dimethylamino)methyl]-9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide (CID 121385080) is 8-[(dimethylamino)methyl]-9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for 8-[(dimethylamino)methyl]-9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for 8-[(dimethylamino)methyl]-9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide is CCCCCNC(=O)c1cnc2c(O)c(CN(C)C)ccn2c1=O.
What is the InChIKey of 8-[(dimethylamino)methyl]-9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is LWYJPZZILKEYSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-4-5-6-8-18-16(23)13-10-19-15-14(22)12(11-20(2)3)7-9-21(15)17(13)24/h7,9-10,22H,4-6,8,11H2,1-3H3,(H,18,23).
What are the key properties of 8-[(dimethylamino)methyl]-9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide?
8-[(dimethylamino)methyl]-9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 1.38, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(dimethylamino)methyl]-9-hydroxy-4-oxo-N-pentylpyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 121385080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).