2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-3-yl]-4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidine

C23H27N3 — CID 142511350

IUPAC2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-3-yl]-4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidine
SMILESC=C(C)/C(C)=C/C(=C\C)C1=CC(=C)N2C=C(C3=CCNCC3)C=CC2=N1
InChIInChI=1S/C23H27N3/c1-6-19(13-17(4)16(2)3)22-14-18(5)26-15-21(7-8-23(26)25-22)20-9-11-24-12-10-20/h6-9,13-15,24H,2,5,10-12H2,1,3-4H3/b17-13+,19-6+
InChIKeyJADOCNRHGDELKS-NOCJFZBJSA-N
MW345.49 g/mol
LogP4.94
Rot. Bonds4

About 2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-3-yl]-4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidine

2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-3-yl]-4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidine (PubChem CID 142511350) has the molecular formula C23H27N3 and a molecular weight of 345.49 g/mol. Its IUPAC name is 2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-3-yl]-4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidine.

Molecular Properties

Compound Name2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-3-yl]-4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidine
PubChem CID142511350
Molecular FormulaC23H27N3
Molecular Weight345.49 g/mol
Exact Mass345.22
IUPAC Name2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-3-yl]-4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidine
SMILESC=C(C)/C(C)=C/C(=C\C)C1=CC(=C)N2C=C(C3=CCNCC3)C=CC2=N1
InChIInChI=1S/C23H27N3/c1-6-19(13-17(4)16(2)3)22-14-18(5)26-15-21(7-8-23(26)25-22)20-9-11-24-12-10-20/h6-9,13-15,24H,2,5,10-12H2,1,3-4H3/b17-13+,19-6+
InChIKeyJADOCNRHGDELKS-NOCJFZBJSA-N
XLogP4.94
TPSA27.63 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 54.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-3-yl]-4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidine with MolForge

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Related Compounds

2-(3-piperidin-1-ylpropyl)-3a,4,7,8-tetrahydro-1H-perimidine
CID 89636817
1-But-1-en-2-yl-5-piperidin-4-ylpyridin-2-imine
CID 123286517
1-But-1-en-2-yl-5-(1,2,3,6-tetrahydropyridin-4-yl)pyridin-2-imine
CID 123811988
(E)-6-amino-3-methyl-N'-[(3Z)-6-methylhepta-1,3,6-trien-2-yl]-N-(2-propan-2-ylhexa-2,4-dienyl)-N-propylhex-2-enimidamide
CID 123824883
N-ethyl-7-[(2Z,4E,6E)-10-methylundeca-2,4,6-trien-4-yl]-2,3-dihydropyrido[3,4-b]pyrazin-5-amine
CID 132038569
(Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-(9-methyl-4-methylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)penta-2,4-dien-1-imine
CID 142511208
(2E)-1-(4-cyclobutylidene-7-piperidin-4-ylpyrido[1,2-a]pyrimidin-2-yl)-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511249
(E)-1-[4-cyclobutylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehept-2-en-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511328
2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-3-yl]-4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidine;(Z)-3,4-dimethyloct-4-ene
CID 142511349
4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)-2-[(3E,5E,10Z)-2,3,11,12-tetramethyltetradeca-1,3,5,10-tetraen-5-yl]pyrazino[1,2-a]pyrimidine
CID 142511392
N-[(3Z)-4-[6-[(4E,7E)-5-ethenyl-7-[(Z)-prop-1-enyl]cycloocta-2,4,7-trien-1-yl]-1-methyl-4H-pyrimidin-2-yl]buta-1,3-dien-2-yl]cyclohexanamine
CID 143419223
(1E)-N,N-dimethyl-2-(9-piperidin-4-ylimino-2,8-dihydropyrazino[1,2-a]pyrimidin-4-yl)buta-1,3-dien-1-amine
CID 143464867

Frequently Asked Questions

What is the IUPAC name of 2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-3-yl]-4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidine?
The IUPAC name of 2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-3-yl]-4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidine (CID 142511350) is 2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-3-yl]-4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidine.
What is the SMILES notation for 2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-3-yl]-4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidine?
The canonical SMILES for 2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-3-yl]-4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidine is C=C(C)/C(C)=C/C(=C\C)C1=CC(=C)N2C=C(C3=CCNCC3)C=CC2=N1.
What is the InChIKey of 2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-3-yl]-4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidine?
The InChIKey is JADOCNRHGDELKS-NOCJFZBJSA-N. The full InChI is InChI=1S/C23H27N3/c1-6-19(13-17(4)16(2)3)22-14-18(5)26-15-21(7-8-23(26)25-22)20-9-11-24-12-10-20/h6-9,13-15,24H,2,5,10-12H2,1,3-4H3/b17-13+,19-6+.
What are the key properties of 2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-3-yl]-4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidine?
2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-3-yl]-4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidine has a molecular weight of 345.49 g/mol, XLogP of 4.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2E,4E)-5,6-dimethylhepta-2,4,6-trien-3-yl]-4-methylidene-7-(1,2,3,6-tetrahydropyridin-4-yl)pyrido[1,2-a]pyrimidine is sourced from PubChem (CID 142511350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).