N-heptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C17H23N3O2 — CID 3079280

IUPACN-heptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCCCCNC(=O)c1cnc2cccc(C)n2c1=O
InChIInChI=1S/C17H23N3O2/c1-3-4-5-6-7-11-18-16(21)14-12-19-15-10-8-9-13(2)20(15)17(14)22/h8-10,12H,3-7,11H2,1-2H3,(H,18,21)
InChIKeyRVQRTCFHAKPSMO-UHFFFAOYSA-N
MW301.39 g/mol
LogP2.70
Rot. Bonds7

About N-heptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-heptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 3079280) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is N-heptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-heptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID3079280
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC NameN-heptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCCCCCCCNC(=O)c1cnc2cccc(C)n2c1=O
InChIInChI=1S/C17H23N3O2/c1-3-4-5-6-7-11-18-16(21)14-12-19-15-10-8-9-13(2)20(15)17(14)22/h8-10,12H,3-7,11H2,1-2H3,(H,18,21)
InChIKeyRVQRTCFHAKPSMO-UHFFFAOYSA-N
XLogP2.70
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 N-heptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-heptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 3079280) is N-heptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-heptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-heptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CCCCCCCNC(=O)c1cnc2cccc(C)n2c1=O.
What is the InChIKey of N-heptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is RVQRTCFHAKPSMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-3-4-5-6-7-11-18-16(21)14-12-19-15-10-8-9-13(2)20(15)17(14)22/h8-10,12H,3-7,11H2,1-2H3,(H,18,21).
What are the key properties of N-heptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-heptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 2.70, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-heptyl-6-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 3079280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).