(5Z,6Z,8E)-8-(7-amino-2,6-naphthyridin-3-yl)-5-butan-2-ylidene-7-methyldeca-6,8-dien-4-ol

C23H31N3O — CID 171555969

IUPAC(5Z,6Z,8E)-8-(7-amino-2,6-naphthyridin-3-yl)-5-butan-2-ylidene-7-methyldeca-6,8-dien-4-ol
SMILESC/C=C(C(\C)=C/C(=C(\C)CC)C(O)CCC)/c1cc2cnc(N)cc2cn1
InChIInChI=1S/C23H31N3O/c1-6-9-22(27)20(15(4)7-2)10-16(5)19(8-3)21-11-17-14-26-23(24)12-18(17)13-25-21/h8,10-14,22,27H,6-7,9H2,1-5H3,(H2,24,26)/b16-10-,19-8+,20-15-
InChIKeyAOFUNITXJISJET-DJAWXTSJSA-N
MW365.52 g/mol
LogP5.45
Rot. Bonds7

About (5Z,6Z,8E)-8-(7-amino-2,6-naphthyridin-3-yl)-5-butan-2-ylidene-7-methyldeca-6,8-dien-4-ol

(5Z,6Z,8E)-8-(7-amino-2,6-naphthyridin-3-yl)-5-butan-2-ylidene-7-methyldeca-6,8-dien-4-ol (PubChem CID 171555969) has the molecular formula C23H31N3O and a molecular weight of 365.52 g/mol. Its IUPAC name is (5Z,6Z,8E)-8-(7-amino-2,6-naphthyridin-3-yl)-5-butan-2-ylidene-7-methyldeca-6,8-dien-4-ol.

Molecular Properties

Compound Name(5Z,6Z,8E)-8-(7-amino-2,6-naphthyridin-3-yl)-5-butan-2-ylidene-7-methyldeca-6,8-dien-4-ol
PubChem CID171555969
Molecular FormulaC23H31N3O
Molecular Weight365.52 g/mol
Exact Mass365.25
IUPAC Name(5Z,6Z,8E)-8-(7-amino-2,6-naphthyridin-3-yl)-5-butan-2-ylidene-7-methyldeca-6,8-dien-4-ol
SMILESC/C=C(C(\C)=C/C(=C(\C)CC)C(O)CCC)/c1cc2cnc(N)cc2cn1
InChIInChI=1S/C23H31N3O/c1-6-9-22(27)20(15(4)7-2)10-16(5)19(8-3)21-11-17-14-26-23(24)12-18(17)13-25-21/h8,10-14,22,27H,6-7,9H2,1-5H3,(H2,24,26)/b16-10-,19-8+,20-15-
InChIKeyAOFUNITXJISJET-DJAWXTSJSA-N
XLogP5.45
TPSA72.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500365.52
LogP ≤ 55.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5Z,6Z,8E)-8-(7-amino-2,6-naphthyridin-3-yl)-5-butan-2-ylidene-7-methyldeca-6,8-dien-4-ol?
The IUPAC name of (5Z,6Z,8E)-8-(7-amino-2,6-naphthyridin-3-yl)-5-butan-2-ylidene-7-methyldeca-6,8-dien-4-ol (CID 171555969) is (5Z,6Z,8E)-8-(7-amino-2,6-naphthyridin-3-yl)-5-butan-2-ylidene-7-methyldeca-6,8-dien-4-ol.
What is the SMILES notation for (5Z,6Z,8E)-8-(7-amino-2,6-naphthyridin-3-yl)-5-butan-2-ylidene-7-methyldeca-6,8-dien-4-ol?
The canonical SMILES for (5Z,6Z,8E)-8-(7-amino-2,6-naphthyridin-3-yl)-5-butan-2-ylidene-7-methyldeca-6,8-dien-4-ol is C/C=C(C(\C)=C/C(=C(\C)CC)C(O)CCC)/c1cc2cnc(N)cc2cn1.
What is the InChIKey of (5Z,6Z,8E)-8-(7-amino-2,6-naphthyridin-3-yl)-5-butan-2-ylidene-7-methyldeca-6,8-dien-4-ol?
The InChIKey is AOFUNITXJISJET-DJAWXTSJSA-N. The full InChI is InChI=1S/C23H31N3O/c1-6-9-22(27)20(15(4)7-2)10-16(5)19(8-3)21-11-17-14-26-23(24)12-18(17)13-25-21/h8,10-14,22,27H,6-7,9H2,1-5H3,(H2,24,26)/b16-10-,19-8+,20-15-.
What are the key properties of (5Z,6Z,8E)-8-(7-amino-2,6-naphthyridin-3-yl)-5-butan-2-ylidene-7-methyldeca-6,8-dien-4-ol?
(5Z,6Z,8E)-8-(7-amino-2,6-naphthyridin-3-yl)-5-butan-2-ylidene-7-methyldeca-6,8-dien-4-ol has a molecular weight of 365.52 g/mol, XLogP of 5.45, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5Z,6Z,8E)-8-(7-amino-2,6-naphthyridin-3-yl)-5-butan-2-ylidene-7-methyldeca-6,8-dien-4-ol is sourced from PubChem (CID 171555969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).