N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methoxy-3H-indol-2-yl]formamide

C14H16N4O2 — CID 158059089

IUPACN-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methoxy-3H-indol-2-yl]formamide
SMILESC/N=C/C(=CN)c1ccc(OC)c2c1N=C(NC=O)C2
InChIInChI=1S/C14H16N4O2/c1-16-7-9(6-15)10-3-4-12(20-2)11-5-13(17-8-19)18-14(10)11/h3-4,6-8H,5,15H2,1-2H3,(H,17,18,19)/b9-6?,16-7+
InChIKeyZFICKGNEFCTUBB-LXENCSMMSA-N
MW272.31 g/mol
LogP1.03
Rot. Bonds4

About N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methoxy-3H-indol-2-yl]formamide

N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methoxy-3H-indol-2-yl]formamide (PubChem CID 158059089) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methoxy-3H-indol-2-yl]formamide.

Molecular Properties

Compound NameN-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methoxy-3H-indol-2-yl]formamide
PubChem CID158059089
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC NameN-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methoxy-3H-indol-2-yl]formamide
SMILESC/N=C/C(=CN)c1ccc(OC)c2c1N=C(NC=O)C2
InChIInChI=1S/C14H16N4O2/c1-16-7-9(6-15)10-3-4-12(20-2)11-5-13(17-8-19)18-14(10)11/h3-4,6-8H,5,15H2,1-2H3,(H,17,18,19)/b9-6?,16-7+
InChIKeyZFICKGNEFCTUBB-LXENCSMMSA-N
XLogP1.03
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methoxy-3H-indol-2-yl]formamide?
The IUPAC name of N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methoxy-3H-indol-2-yl]formamide (CID 158059089) is N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methoxy-3H-indol-2-yl]formamide.
What is the SMILES notation for N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methoxy-3H-indol-2-yl]formamide?
The canonical SMILES for N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methoxy-3H-indol-2-yl]formamide is C/N=C/C(=CN)c1ccc(OC)c2c1N=C(NC=O)C2.
What is the InChIKey of N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methoxy-3H-indol-2-yl]formamide?
The InChIKey is ZFICKGNEFCTUBB-LXENCSMMSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-16-7-9(6-15)10-3-4-12(20-2)11-5-13(17-8-19)18-14(10)11/h3-4,6-8H,5,15H2,1-2H3,(H,17,18,19)/b9-6?,16-7+.
What are the key properties of N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methoxy-3H-indol-2-yl]formamide?
N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methoxy-3H-indol-2-yl]formamide has a molecular weight of 272.31 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-(1-amino-3-methyliminoprop-1-en-2-yl)-4-methoxy-3H-indol-2-yl]formamide is sourced from PubChem (CID 158059089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).