(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine

C23H28N4 — CID 142511112

IUPAC(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine
SMILESC=C(C)/C(C)=C/C(=N\C)C1=CC(=C)N2C=C(C3=CCN(C)CC3)C=CC2=N1
InChIInChI=1S/C23H28N4/c1-16(2)17(3)13-21(24-5)22-14-18(4)27-15-20(7-8-23(27)25-22)19-9-11-26(6)12-10-19/h7-9,13-15H,1,4,10-12H2,2-3,5-6H3/b17-13+,24-21+
InChIKeyLFNHYPQEZYIODP-XADPGMCUSA-N
MW360.51 g/mol
LogP4.41
Rot. Bonds4

About (2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine

(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine (PubChem CID 142511112) has the molecular formula C23H28N4 and a molecular weight of 360.51 g/mol. Its IUPAC name is (2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine.

Molecular Properties

Compound Name(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine
PubChem CID142511112
Molecular FormulaC23H28N4
Molecular Weight360.51 g/mol
Exact Mass360.23
IUPAC Name(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine
SMILESC=C(C)/C(C)=C/C(=N\C)C1=CC(=C)N2C=C(C3=CCN(C)CC3)C=CC2=N1
InChIInChI=1S/C23H28N4/c1-16(2)17(3)13-21(24-5)22-14-18(4)27-15-20(7-8-23(27)25-22)19-9-11-26(6)12-10-19/h7-9,13-15H,1,4,10-12H2,2-3,5-6H3/b17-13+,24-21+
InChIKeyLFNHYPQEZYIODP-XADPGMCUSA-N
XLogP4.41
TPSA31.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.51
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine with MolForge

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Related Compounds

(E)-1-[(4E)-7-[(3R)-4-(2-fluoroethyl)-3-methylpiperazin-1-yl]-4-propylidenepyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine
CID 142511318
(E)-1-[4-cyclobutylidene-7-[1-(2-fluoroethyl)piperidin-4-yl]pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine
CID 142511335
1,8-Diazatricyclo[7.4.0.03,7]trideca-3(7),8,10,12-tetraene
CID 70499226
1-N-butyl-1-(5-chloro-2-methylidene-1-pyridinyl)-2-ethylidene-3-N-methylpent-4-ene-1,3-diimine
CID 91153770
3-(Cyclohexa-1,5-dien-1-ylmethyl)-4-cyclopropylidene-2-methyl-6,7-dihydroquinazoline
CID 123755807
7-ethyl-1,8-dimethyl-N-[(3Z)-4-methylhepta-1,3,6-trien-2-yl]-2,7-naphthyridin-3-imine
CID 123904637
(E)-1-[4-cyclobutylidene-7-(1-ethylpiperidin-4-yl)pyrido[1,2-a]pyrimidin-2-yl]-N,3-dimethyl-4-methylidenehex-2-en-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511033
butane;(2E)-1-[7-(1-cyclopropyl-3,6-dihydro-2H-pyridin-4-yl)-9-methyl-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]-N,3,4-trimethylpenta-2,4-dien-1-imine;(Z)-3,4-dimethyloct-4-ene
CID 142511049
4-cyclopropylidene-2-[N-methyl-C-[(E)-2-methyl-3-methylidenepent-1-enyl]carbonimidoyl]-N-(2-methylpropyl)-N-pentylpyrido[1,2-a]pyrimidin-7-amine;(Z)-3,4-dimethyloct-4-ene
CID 142511081
(Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-[4-methylidene-7-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]pyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine
CID 142511096
(Z)-3,4-dimethyloct-4-ene;(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine
CID 142511111
3-[4-cyclobutylidene-2-[C-[(1E)-2,3-dimethylbuta-1,3-dienyl]-N-methylcarbonimidoyl]pyrido[1,2-a]pyrimidin-7-yl]-N,N-dimethylpropan-1-amine;(Z)-3,4-dimethyloct-4-ene
CID 142511183

Frequently Asked Questions

What is the IUPAC name of (2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine?
The IUPAC name of (2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine (CID 142511112) is (2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine.
What is the SMILES notation for (2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine?
The canonical SMILES for (2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine is C=C(C)/C(C)=C/C(=N\C)C1=CC(=C)N2C=C(C3=CCN(C)CC3)C=CC2=N1.
What is the InChIKey of (2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine?
The InChIKey is LFNHYPQEZYIODP-XADPGMCUSA-N. The full InChI is InChI=1S/C23H28N4/c1-16(2)17(3)13-21(24-5)22-14-18(4)27-15-20(7-8-23(27)25-22)19-9-11-26(6)12-10-19/h7-9,13-15H,1,4,10-12H2,2-3,5-6H3/b17-13+,24-21+.
What are the key properties of (2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine?
(2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine has a molecular weight of 360.51 g/mol, XLogP of 4.41, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-N,3,4-trimethyl-1-[7-(1-methyl-3,6-dihydro-2H-pyridin-4-yl)-4-methylidenepyrido[1,2-a]pyrimidin-2-yl]penta-2,4-dien-1-imine is sourced from PubChem (CID 142511112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).