(3Z,5Z)-3-[(1Z)-buta-1,3-dienyl]-N-[5-(6,7-dihydro-1,8-naphthyridin-2-yl)-2-methylpent-2-en-3-yl]-4-methylhepta-3,5-dien-2-imine

C26H33N3 — CID 134484536

IUPAC(3Z,5Z)-3-[(1Z)-buta-1,3-dienyl]-N-[5-(6,7-dihydro-1,8-naphthyridin-2-yl)-2-methylpent-2-en-3-yl]-4-methylhepta-3,5-dien-2-imine
SMILESC=C/C=C\C(=C(C)\C=C/C)\C(C)=N\C(CCc1ccc2c(n1)=NCCC=2)=C(C)C
InChIInChI=1S/C26H33N3/c1-7-9-13-24(20(5)11-8-2)21(6)28-25(19(3)4)17-16-23-15-14-22-12-10-18-27-26(22)29-23/h7-9,11-15H,1,10,16-18H2,2-6H3/b11-8-,13-9-,24-20-,28-21+
InChIKeyIARGFTSTRHQYSF-GCIOZVCDSA-N
MW387.57 g/mol
LogP5.21
Rot. Bonds8

About (3Z,5Z)-3-[(1Z)-buta-1,3-dienyl]-N-[5-(6,7-dihydro-1,8-naphthyridin-2-yl)-2-methylpent-2-en-3-yl]-4-methylhepta-3,5-dien-2-imine

(3Z,5Z)-3-[(1Z)-buta-1,3-dienyl]-N-[5-(6,7-dihydro-1,8-naphthyridin-2-yl)-2-methylpent-2-en-3-yl]-4-methylhepta-3,5-dien-2-imine (PubChem CID 134484536) has the molecular formula C26H33N3 and a molecular weight of 387.57 g/mol. Its IUPAC name is (3Z,5Z)-3-[(1Z)-buta-1,3-dienyl]-N-[5-(6,7-dihydro-1,8-naphthyridin-2-yl)-2-methylpent-2-en-3-yl]-4-methylhepta-3,5-dien-2-imine.

Molecular Properties

Compound Name(3Z,5Z)-3-[(1Z)-buta-1,3-dienyl]-N-[5-(6,7-dihydro-1,8-naphthyridin-2-yl)-2-methylpent-2-en-3-yl]-4-methylhepta-3,5-dien-2-imine
PubChem CID134484536
Molecular FormulaC26H33N3
Molecular Weight387.57 g/mol
Exact Mass387.27
IUPAC Name(3Z,5Z)-3-[(1Z)-buta-1,3-dienyl]-N-[5-(6,7-dihydro-1,8-naphthyridin-2-yl)-2-methylpent-2-en-3-yl]-4-methylhepta-3,5-dien-2-imine
SMILESC=C/C=C\C(=C(C)\C=C/C)\C(C)=N\C(CCc1ccc2c(n1)=NCCC=2)=C(C)C
InChIInChI=1S/C26H33N3/c1-7-9-13-24(20(5)11-8-2)21(6)28-25(19(3)4)17-16-23-15-14-22-12-10-18-27-26(22)29-23/h7-9,11-15H,1,10,16-18H2,2-6H3/b11-8-,13-9-,24-20-,28-21+
InChIKeyIARGFTSTRHQYSF-GCIOZVCDSA-N
XLogP5.21
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.57
LogP ≤ 55.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3Z,5Z)-3-[(1Z)-buta-1,3-dienyl]-N-[5-(6,7-dihydro-1,8-naphthyridin-2-yl)-2-methylpent-2-en-3-yl]-4-methylhepta-3,5-dien-2-imine?
The IUPAC name of (3Z,5Z)-3-[(1Z)-buta-1,3-dienyl]-N-[5-(6,7-dihydro-1,8-naphthyridin-2-yl)-2-methylpent-2-en-3-yl]-4-methylhepta-3,5-dien-2-imine (CID 134484536) is (3Z,5Z)-3-[(1Z)-buta-1,3-dienyl]-N-[5-(6,7-dihydro-1,8-naphthyridin-2-yl)-2-methylpent-2-en-3-yl]-4-methylhepta-3,5-dien-2-imine.
What is the SMILES notation for (3Z,5Z)-3-[(1Z)-buta-1,3-dienyl]-N-[5-(6,7-dihydro-1,8-naphthyridin-2-yl)-2-methylpent-2-en-3-yl]-4-methylhepta-3,5-dien-2-imine?
The canonical SMILES for (3Z,5Z)-3-[(1Z)-buta-1,3-dienyl]-N-[5-(6,7-dihydro-1,8-naphthyridin-2-yl)-2-methylpent-2-en-3-yl]-4-methylhepta-3,5-dien-2-imine is C=C/C=C\C(=C(C)\C=C/C)\C(C)=N\C(CCc1ccc2c(n1)=NCCC=2)=C(C)C.
What is the InChIKey of (3Z,5Z)-3-[(1Z)-buta-1,3-dienyl]-N-[5-(6,7-dihydro-1,8-naphthyridin-2-yl)-2-methylpent-2-en-3-yl]-4-methylhepta-3,5-dien-2-imine?
The InChIKey is IARGFTSTRHQYSF-GCIOZVCDSA-N. The full InChI is InChI=1S/C26H33N3/c1-7-9-13-24(20(5)11-8-2)21(6)28-25(19(3)4)17-16-23-15-14-22-12-10-18-27-26(22)29-23/h7-9,11-15H,1,10,16-18H2,2-6H3/b11-8-,13-9-,24-20-,28-21+.
What are the key properties of (3Z,5Z)-3-[(1Z)-buta-1,3-dienyl]-N-[5-(6,7-dihydro-1,8-naphthyridin-2-yl)-2-methylpent-2-en-3-yl]-4-methylhepta-3,5-dien-2-imine?
(3Z,5Z)-3-[(1Z)-buta-1,3-dienyl]-N-[5-(6,7-dihydro-1,8-naphthyridin-2-yl)-2-methylpent-2-en-3-yl]-4-methylhepta-3,5-dien-2-imine has a molecular weight of 387.57 g/mol, XLogP of 5.21, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5Z)-3-[(1Z)-buta-1,3-dienyl]-N-[5-(6,7-dihydro-1,8-naphthyridin-2-yl)-2-methylpent-2-en-3-yl]-4-methylhepta-3,5-dien-2-imine is sourced from PubChem (CID 134484536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).