4-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-indole-7-carboxamide

C15H16N4O2 — CID 129265164

IUPAC4-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-indole-7-carboxamide
SMILESC=CC(=O)N1CC(Nc2ccc(C(N)=O)c3[nH]ccc23)C1
InChIInChI=1S/C15H16N4O2/c1-2-13(20)19-7-9(8-19)18-12-4-3-11(15(16)21)14-10(12)5-6-17-14/h2-6,9,17-18H,1,7-8H2,(H2,16,21)
InChIKeyJWXNWEBIYSFWBP-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.08
Rot. Bonds4

About 4-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-indole-7-carboxamide

4-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-indole-7-carboxamide (PubChem CID 129265164) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 4-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-indole-7-carboxamide.

Molecular Properties

Compound Name4-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-indole-7-carboxamide
PubChem CID129265164
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name4-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-indole-7-carboxamide
SMILESC=CC(=O)N1CC(Nc2ccc(C(N)=O)c3[nH]ccc23)C1
InChIInChI=1S/C15H16N4O2/c1-2-13(20)19-7-9(8-19)18-12-4-3-11(15(16)21)14-10(12)5-6-17-14/h2-6,9,17-18H,1,7-8H2,(H2,16,21)
InChIKeyJWXNWEBIYSFWBP-UHFFFAOYSA-N
XLogP1.08
TPSA91.22 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-indole-7-carboxamide?
The IUPAC name of 4-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-indole-7-carboxamide (CID 129265164) is 4-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-indole-7-carboxamide.
What is the SMILES notation for 4-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-indole-7-carboxamide?
The canonical SMILES for 4-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-indole-7-carboxamide is C=CC(=O)N1CC(Nc2ccc(C(N)=O)c3[nH]ccc23)C1.
What is the InChIKey of 4-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-indole-7-carboxamide?
The InChIKey is JWXNWEBIYSFWBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-2-13(20)19-7-9(8-19)18-12-4-3-11(15(16)21)14-10(12)5-6-17-14/h2-6,9,17-18H,1,7-8H2,(H2,16,21).
What are the key properties of 4-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-indole-7-carboxamide?
4-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-indole-7-carboxamide has a molecular weight of 284.32 g/mol, XLogP of 1.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-prop-2-enoylazetidin-3-yl)amino]-1H-indole-7-carboxamide is sourced from PubChem (CID 129265164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).