(E)-N-[3-[4-(2,4-dimethylphenyl)-2-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]prop-1-en-2-yl]-3-methylpent-2-en-1-imine

C26H33N3 — CID 145025485

IUPAC(E)-N-[3-[4-(2,4-dimethylphenyl)-2-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]prop-1-en-2-yl]-3-methylpent-2-en-1-imine
SMILESC=C(CN1CCc2c(-c3ccc(C)cc3C)cc(C)nc2C1)/N=C/C=C(\C)CC
InChIInChI=1S/C26H33N3/c1-7-18(2)10-12-27-22(6)16-29-13-11-24-25(15-21(5)28-26(24)17-29)23-9-8-19(3)14-20(23)4/h8-10,12,14-15H,6-7,11,13,16-17H2,1-5H3/b18-10+,27-12+
InChIKeyOBTJZMQJOZBHAD-SNDVGWBCSA-N
MW387.57 g/mol
LogP5.97
Rot. Bonds6

About (E)-N-[3-[4-(2,4-dimethylphenyl)-2-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]prop-1-en-2-yl]-3-methylpent-2-en-1-imine

(E)-N-[3-[4-(2,4-dimethylphenyl)-2-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]prop-1-en-2-yl]-3-methylpent-2-en-1-imine (PubChem CID 145025485) has the molecular formula C26H33N3 and a molecular weight of 387.57 g/mol. Its IUPAC name is (E)-N-[3-[4-(2,4-dimethylphenyl)-2-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]prop-1-en-2-yl]-3-methylpent-2-en-1-imine.

Molecular Properties

Compound Name(E)-N-[3-[4-(2,4-dimethylphenyl)-2-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]prop-1-en-2-yl]-3-methylpent-2-en-1-imine
PubChem CID145025485
Molecular FormulaC26H33N3
Molecular Weight387.57 g/mol
Exact Mass387.27
IUPAC Name(E)-N-[3-[4-(2,4-dimethylphenyl)-2-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]prop-1-en-2-yl]-3-methylpent-2-en-1-imine
SMILESC=C(CN1CCc2c(-c3ccc(C)cc3C)cc(C)nc2C1)/N=C/C=C(\C)CC
InChIInChI=1S/C26H33N3/c1-7-18(2)10-12-27-22(6)16-29-13-11-24-25(15-21(5)28-26(24)17-29)23-9-8-19(3)14-20(23)4/h8-10,12,14-15H,6-7,11,13,16-17H2,1-5H3/b18-10+,27-12+
InChIKeyOBTJZMQJOZBHAD-SNDVGWBCSA-N
XLogP5.97
TPSA28.49 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.57
LogP ≤ 55.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (E)-N-[3-[4-(2,4-dimethylphenyl)-2-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]prop-1-en-2-yl]-3-methylpent-2-en-1-imine with MolForge

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Related Compounds

1-[7-[(E)-4-ethenylimino-2,5,5-trimethylhex-2-enyl]-4-(4-methylphenyl)-6,8-dihydro-5H-1,7-naphthyridin-2-yl]ethenamine
CID 145025497
4-(2,4-dimethylphenyl)-7-[[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118911208
7-[(2,5-dimethylphenyl)methyl]-2-pyridin-4-yl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863928
7-[(2,5-dimethylphenyl)methyl]-2-methylsulfonyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863914
4-(2,4-difluorophenyl)-7-[(1-methyltetrazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118911297
4-(4-chloro-2-fluorophenyl)-7-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-6,8-dihydro-5H-1,7-naphthyridine-2-carboxamide
CID 118911031
2,4-dimethyl-1-(4-methyl-2-prop-1-en-2-ylphenyl)benzene
CID 142964913
7-[(3-methylphenyl)methyl]-2-propyl-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135865833
2-(7-benzyl-4-oxo-2-propan-2-yl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2,5-dimethylphenyl)acetamide
CID 50826260
2-(7-benzyl-2-methyl-4-oxo-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-3-yl)-N-(2,4,6-trimethylphenyl)acetamide
CID 53031242
2,4-dimethyl-1-[(Z)-2-methylbut-1-enyl]benzene
CID 144671874
2-(4-methylphenyl)-7-[(2,4,5-trihydroxyphenyl)methyl]-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135863532

Frequently Asked Questions

What is the IUPAC name of (E)-N-[3-[4-(2,4-dimethylphenyl)-2-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]prop-1-en-2-yl]-3-methylpent-2-en-1-imine?
The IUPAC name of (E)-N-[3-[4-(2,4-dimethylphenyl)-2-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]prop-1-en-2-yl]-3-methylpent-2-en-1-imine (CID 145025485) is (E)-N-[3-[4-(2,4-dimethylphenyl)-2-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]prop-1-en-2-yl]-3-methylpent-2-en-1-imine.
What is the SMILES notation for (E)-N-[3-[4-(2,4-dimethylphenyl)-2-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]prop-1-en-2-yl]-3-methylpent-2-en-1-imine?
The canonical SMILES for (E)-N-[3-[4-(2,4-dimethylphenyl)-2-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]prop-1-en-2-yl]-3-methylpent-2-en-1-imine is C=C(CN1CCc2c(-c3ccc(C)cc3C)cc(C)nc2C1)/N=C/C=C(\C)CC.
What is the InChIKey of (E)-N-[3-[4-(2,4-dimethylphenyl)-2-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]prop-1-en-2-yl]-3-methylpent-2-en-1-imine?
The InChIKey is OBTJZMQJOZBHAD-SNDVGWBCSA-N. The full InChI is InChI=1S/C26H33N3/c1-7-18(2)10-12-27-22(6)16-29-13-11-24-25(15-21(5)28-26(24)17-29)23-9-8-19(3)14-20(23)4/h8-10,12,14-15H,6-7,11,13,16-17H2,1-5H3/b18-10+,27-12+.
What are the key properties of (E)-N-[3-[4-(2,4-dimethylphenyl)-2-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]prop-1-en-2-yl]-3-methylpent-2-en-1-imine?
(E)-N-[3-[4-(2,4-dimethylphenyl)-2-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]prop-1-en-2-yl]-3-methylpent-2-en-1-imine has a molecular weight of 387.57 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-[3-[4-(2,4-dimethylphenyl)-2-methyl-6,8-dihydro-5H-1,7-naphthyridin-7-yl]prop-1-en-2-yl]-3-methylpent-2-en-1-imine is sourced from PubChem (CID 145025485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).