1-ethyl-3-[3-[(2E,4Z)-7-hydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]urea

C22H28N4O2 — CID 171555402

IUPAC1-ethyl-3-[3-[(2E,4Z)-7-hydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]urea
SMILESC=C(/C=C(C)\C(=C/C)c1cnc2cc(NC(=O)NCC)ncc2c1)C(O)CC
InChIInChI=1S/C22H28N4O2/c1-6-18(14(4)9-15(5)20(27)7-2)16-10-17-13-25-21(11-19(17)24-12-16)26-22(28)23-8-3/h6,9-13,20,27H,5,7-8H2,1-4H3,(H2,23,25,26,28)/b14-9-,18-6+
InChIKeyRSPVSJBZAAPVJP-PFUYMHHKSA-N
MW380.49 g/mol
LogP4.45
Rot. Bonds7

About 1-ethyl-3-[3-[(2E,4Z)-7-hydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]urea

1-ethyl-3-[3-[(2E,4Z)-7-hydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]urea (PubChem CID 171555402) has the molecular formula C22H28N4O2 and a molecular weight of 380.49 g/mol. Its IUPAC name is 1-ethyl-3-[3-[(2E,4Z)-7-hydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[3-[(2E,4Z)-7-hydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]urea
PubChem CID171555402
Molecular FormulaC22H28N4O2
Molecular Weight380.49 g/mol
Exact Mass380.22
IUPAC Name1-ethyl-3-[3-[(2E,4Z)-7-hydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]urea
SMILESC=C(/C=C(C)\C(=C/C)c1cnc2cc(NC(=O)NCC)ncc2c1)C(O)CC
InChIInChI=1S/C22H28N4O2/c1-6-18(14(4)9-15(5)20(27)7-2)16-10-17-13-25-21(11-19(17)24-12-16)26-22(28)23-8-3/h6,9-13,20,27H,5,7-8H2,1-4H3,(H2,23,25,26,28)/b14-9-,18-6+
InChIKeyRSPVSJBZAAPVJP-PFUYMHHKSA-N
XLogP4.45
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 54.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

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
2,2-difluoro-N-[3-[(2E,4Z,7Z)-7-hydroxyimino-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 171555164
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
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)-7,8-dihydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-2,6-naphthyridin-3-yl]cyclopropanecarboxamide
CID 171555460
1-[5-bromo-4-(hydroxymethyl)-2-pyridinyl]-3-ethylurea
CID 67057414
1-(6-bromo-8-methylisoquinolin-3-yl)-3-ethylurea
CID 67449451
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-[3-(3-acetylanilino)pyrido[2,3-b]pyrazin-6-yl]-3-ethylurea
CID 25151707
N-[3-(ethylcarbamoylamino)isoquinolin-6-yl]benzamide
CID 53492353
1-ethyl-3-[3-(1-prop-1-en-2-yloxyethenyl)pyrido[2,3-b]pyrazin-6-yl]urea
CID 89036130
2-fluoro-N-[2-methoxy-3-[(2E,4Z)-4-methyl-6-methylidene-7-oxodeca-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]cyclopropane-1-carboxamide
CID 171555884

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[3-[(2E,4Z)-7-hydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]urea?
The IUPAC name of 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) is 1-ethyl-3-[3-[(2E,4Z)-7-hydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]urea.
What is the SMILES notation for 1-ethyl-3-[3-[(2E,4Z)-7-hydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]urea?
The canonical SMILES for 1-ethyl-3-[3-[(2E,4Z)-7-hydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]urea is C=C(/C=C(C)\C(=C/C)c1cnc2cc(NC(=O)NCC)ncc2c1)C(O)CC.
What is the InChIKey of 1-ethyl-3-[3-[(2E,4Z)-7-hydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]urea?
The InChIKey is RSPVSJBZAAPVJP-PFUYMHHKSA-N. The full InChI is InChI=1S/C22H28N4O2/c1-6-18(14(4)9-15(5)20(27)7-2)16-10-17-13-25-21(11-19(17)24-12-16)26-22(28)23-8-3/h6,9-13,20,27H,5,7-8H2,1-4H3,(H2,23,25,26,28)/b14-9-,18-6+.
What are the key properties of 1-ethyl-3-[3-[(2E,4Z)-7-hydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]urea?
1-ethyl-3-[3-[(2E,4Z)-7-hydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]urea has a molecular weight of 380.49 g/mol, XLogP of 4.45, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[3-[(2E,4Z)-7-hydroxy-4-methyl-6-methylidenenona-2,4-dien-3-yl]-1,6-naphthyridin-7-yl]urea is sourced from PubChem (CID 171555402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).