N-[7-[(2E,4Z)-7,8-dihydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide

C23H27N3O3 — CID 171555460

IUPACN-[7-[(2E,4Z)-7,8-dihydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESC=C(/C=C(C)\C(=C/C)c1cc2cnc(NC(=O)C3CC3)cc2cn1)C(O)C(C)O
InChIInChI=1S/C23H27N3O3/c1-5-19(13(2)8-14(3)22(28)15(4)27)20-9-17-12-25-21(10-18(17)11-24-20)26-23(29)16-6-7-16/h5,8-12,15-16,22,27-28H,3,6-7H2,1-2,4H3,(H,25,26,29)/b13-8-,19-5+
InChIKeyVPONXFQFHXWEDR-MOOGGKQTSA-N
MW393.49 g/mol
LogP3.63
Rot. Bonds7

About N-[7-[(2E,4Z)-7,8-dihydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide

N-[7-[(2E,4Z)-7,8-dihydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (PubChem CID 171555460) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[7-[(2E,4Z)-7,8-dihydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[7-[(2E,4Z)-7,8-dihydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
PubChem CID171555460
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[7-[(2E,4Z)-7,8-dihydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
SMILESC=C(/C=C(C)\C(=C/C)c1cc2cnc(NC(=O)C3CC3)cc2cn1)C(O)C(C)O
InChIInChI=1S/C23H27N3O3/c1-5-19(13(2)8-14(3)22(28)15(4)27)20-9-17-12-25-21(10-18(17)11-24-20)26-23(29)16-6-7-16/h5,8-12,15-16,22,27-28H,3,6-7H2,1-2,4H3,(H,25,26,29)/b13-8-,19-5+
InChIKeyVPONXFQFHXWEDR-MOOGGKQTSA-N
XLogP3.63
TPSA95.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
butane;ethane;1-ethyl-3-[7-[(2E,4Z)-7-hydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]urea
CID 171556238
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-[(E)-4-[(E)-3-methyloct-3-en-4-yl]iminopent-2-en-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171556154
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
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
N-[7-[(Z,4Z)-4-butan-2-ylidene-5-hydroxy-2-methyloct-2-enimidoyl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171555925
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-[(2E,4Z)-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]formamide
CID 171555060
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-(7-hydroxyisoquinolin-3-yl)cyclopropanecarboxamide
CID 67975011
1-ethyl-3-[3-[(2E,4Z)-7-hydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]urea
CID 171555402

Frequently Asked Questions

What is the IUPAC name of N-[7-[(2E,4Z)-7,8-dihydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The IUPAC name of N-[7-[(2E,4Z)-7,8-dihydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide (CID 171555460) is N-[7-[(2E,4Z)-7,8-dihydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[7-[(2E,4Z)-7,8-dihydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[7-[(2E,4Z)-7,8-dihydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is C=C(/C=C(C)\C(=C/C)c1cc2cnc(NC(=O)C3CC3)cc2cn1)C(O)C(C)O.
What is the InChIKey of N-[7-[(2E,4Z)-7,8-dihydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
The InChIKey is VPONXFQFHXWEDR-MOOGGKQTSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-5-19(13(2)8-14(3)22(28)15(4)27)20-9-17-12-25-21(10-18(17)11-24-20)26-23(29)16-6-7-16/h5,8-12,15-16,22,27-28H,3,6-7H2,1-2,4H3,(H,25,26,29)/b13-8-,19-5+.
What are the key properties of N-[7-[(2E,4Z)-7,8-dihydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide?
N-[7-[(2E,4Z)-7,8-dihydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide has a molecular weight of 393.49 g/mol, XLogP of 3.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-[(2E,4Z)-7,8-dihydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 171555460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).