N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

C19H23N3O2 — CID 50978433

IUPACN-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C19H23N3O2/c1-14(2)7-6-8-15(3)10-11-20-18(23)16-13-21-17-9-4-5-12-22(17)19(16)24/h4-5,7,9-10,12-13H,6,8,11H2,1-3H3,(H,20,23)/b15-10+
InChIKeyAJHOBSNQAXCVLP-XNTDXEJSSA-N
MW325.41 g/mol
LogP3.12
Rot. Bonds6

About N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide

N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (PubChem CID 50978433) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
PubChem CID50978433
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC NameN-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
SMILESCC(C)=CCC/C(C)=C/CNC(=O)c1cnc2ccccn2c1=O
InChIInChI=1S/C19H23N3O2/c1-14(2)7-6-8-15(3)10-11-20-18(23)16-13-21-17-9-4-5-12-22(17)19(16)24/h4-5,7,9-10,12-13H,6,8,11H2,1-3H3,(H,20,23)/b15-10+
InChIKeyAJHOBSNQAXCVLP-XNTDXEJSSA-N
XLogP3.12
TPSA63.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide with MolForge

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Related Compounds

N-[2-(cyclohexen-1-yl)ethyl]-2-hydroxy-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 135681047
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 9-methyl-4-oxo-N-propyl-
CID 3079293
1-ethyl-2-imino-N,10-dimethyl-5-oxo-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
CID 660105
1-Ethyl-2-imino-N-methyl-5-oxo-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide
CID 701425
N-[2-(1-cyclohexenyl)ethyl]-4-hydroxy-8-methyl-2-oxo-3-pyrido[1,2-a]pyrimidinecarboxamide
CID 135616971
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N,6-dimethyl-4-oxo-
CID 3079272
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-propyl-
CID 3079273
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-N-(1-methylethyl)-4-oxo-
CID 3079274
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-butyl-6-methyl-4-oxo-
CID 3079275
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, 6-methyl-4-oxo-N-pentyl-
CID 3079277
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-(2,2-dimethylpropyl)-6-methyl-4-oxo-
CID 3079278
4H-Pyrido(1,2-a)pyrimidine-3-carboxamide, N-hexyl-6-methyl-4-oxo-
CID 3079279

Frequently Asked Questions

What is the IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The IUPAC name of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide (CID 50978433) is N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The canonical SMILES for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is CC(C)=CCC/C(C)=C/CNC(=O)c1cnc2ccccn2c1=O.
What is the InChIKey of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
The InChIKey is AJHOBSNQAXCVLP-XNTDXEJSSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-14(2)7-6-8-15(3)10-11-20-18(23)16-13-21-17-9-4-5-12-22(17)19(16)24/h4-5,7,9-10,12-13H,6,8,11H2,1-3H3,(H,20,23)/b15-10+.
What are the key properties of N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide?
N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide has a molecular weight of 325.41 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2E)-3,7-dimethylocta-2,6-dienyl]-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide is sourced from PubChem (CID 50978433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).