N-[7-[(E)-4-[(E)-3-methyloct-3-en-4-yl]iminopent-2-en-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide

C26H34N4O — CID 171556154

IUPACN-[7-[(E)-4-[(E)-3-methyloct-3-en-4-yl]iminopent-2-en-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESC/C=C(C(\C)=N\C(CCCC)=C(/C)CC)/c1cc2cnc(NC(=O)C3CC3)cc2cn1
InChIInChI=1S/C26H34N4O/c1-6-9-10-23(17(4)7-2)29-18(5)22(8-3)24-13-20-16-28-25(14-21(20)15-27-24)30-26(31)19-11-12-19/h8,13-16,19H,6-7,9-12H2,1-5H3,(H,28,30,31)/b22-8+,23-17+,29-18+
InChIKeyHGOJXOATWDQUJC-BUKKFVSWSA-N
MW418.59 g/mol
LogP6.72
Rot. Bonds9

About N-[7-[(E)-4-[(E)-3-methyloct-3-en-4-yl]iminopent-2-en-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide

N-[7-[(E)-4-[(E)-3-methyloct-3-en-4-yl]iminopent-2-en-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 171556154) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is N-[7-[(E)-4-[(E)-3-methyloct-3-en-4-yl]iminopent-2-en-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-[(E)-4-[(E)-3-methyloct-3-en-4-yl]iminopent-2-en-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID171556154
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC NameN-[7-[(E)-4-[(E)-3-methyloct-3-en-4-yl]iminopent-2-en-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESC/C=C(C(\C)=N\C(CCCC)=C(/C)CC)/c1cc2cnc(NC(=O)C3CC3)cc2cn1
InChIInChI=1S/C26H34N4O/c1-6-9-10-23(17(4)7-2)29-18(5)22(8-3)24-13-20-16-28-25(14-21(20)15-27-24)30-26(31)19-11-12-19/h8,13-16,19H,6-7,9-12H2,1-5H3,(H,28,30,31)/b22-8+,23-17+,29-18+
InChIKeyHGOJXOATWDQUJC-BUKKFVSWSA-N
XLogP6.72
TPSA67.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500418.59
LogP ≤ 56.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[7-[(2E,4Z)-7,8-dihydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171555460
bicyclo[1.1.1]pentane;ethane;N-[7-[(2E,4Z)-4-methylnona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]bicyclo[1.1.1]pentane-1-carboxamide
CID 171555284
N-[5-cyclopropyl-7-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171555854
N-[7-[(Z,4Z)-4-butan-2-ylidene-5-hydroxy-2-methyloct-2-enimidoyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171555925
N-[7-[(2E,4Z,6Z)-6-(1-hydroxycyclobutyl)-4,7-dimethylnona-2,4,6-trien-3-yl]-2,6-naphthyridin-3-yl]acetamide
CID 171555303
1-[7-[(2E,4Z,6Z)-4,7-dimethyl-6-propanoylnona-2,4,6-trien-3-yl]-2,6-naphthyridin-3-yl]-3-ethylurea
CID 171555065
N-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide
CID 67975011
4-hexyl-N-isoquinolin-3-ylcyclohexane-1-carboxamide
CID 3603758
N-[5-cyclopropyl-7-[(2E,4Z)-7-hydroxy-4-methyl-6-methylidenedeca-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide;ethane
CID 171556014
N-[7-(2-butanoyl-6-methyl-1,2-dihydropyrimidin-5-yl)-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171555714
[(2S)-2-[[3-(cyclopropanecarbonylamino)isoquinolin-6-yl]-methylamino]propyl] formate
CID 167049931
2-fluoro-N-[7-[(2E,4Z,6Z)-6-(1-hydroxy-2-methylsulfanylethyl)-4-methylnona-2,4,6-trien-3-yl]-2,6-naphthyridin-3-yl]cyclopropane-1-carboxamide
CID 171555953

Frequently Asked Questions

What is the IUPAC name of N-[7-[(E)-4-[(E)-3-methyloct-3-en-4-yl]iminopent-2-en-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-[(E)-4-[(E)-3-methyloct-3-en-4-yl]iminopent-2-en-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (CID 171556154) is N-[7-[(E)-4-[(E)-3-methyloct-3-en-4-yl]iminopent-2-en-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-[(E)-4-[(E)-3-methyloct-3-en-4-yl]iminopent-2-en-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-[(E)-4-[(E)-3-methyloct-3-en-4-yl]iminopent-2-en-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is C/C=C(C(\C)=N\C(CCCC)=C(/C)CC)/c1cc2cnc(NC(=O)C3CC3)cc2cn1.
What is the InChIKey of N-[7-[(E)-4-[(E)-3-methyloct-3-en-4-yl]iminopent-2-en-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is HGOJXOATWDQUJC-BUKKFVSWSA-N. The full InChI is InChI=1S/C26H34N4O/c1-6-9-10-23(17(4)7-2)29-18(5)22(8-3)24-13-20-16-28-25(14-21(20)15-27-24)30-26(31)19-11-12-19/h8,13-16,19H,6-7,9-12H2,1-5H3,(H,28,30,31)/b22-8+,23-17+,29-18+.
What are the key properties of N-[7-[(E)-4-[(E)-3-methyloct-3-en-4-yl]iminopent-2-en-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[7-[(E)-4-[(E)-3-methyloct-3-en-4-yl]iminopent-2-en-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 418.59 g/mol, XLogP of 6.72, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(E)-4-[(E)-3-methyloct-3-en-4-yl]iminopent-2-en-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 171556154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).