N-[2-[[1-cyano-1-(2-hydroxyprop-2-enylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]prop-2-enyl]-4-methoxy-1H-indole-2-carboxamide

C24H30N6O4 — CID 166893456

About N-[2-[[1-cyano-1-(2-hydroxyprop-2-enylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]prop-2-enyl]-4-methoxy-1H-indole-2-carboxamide

N-[2-[[1-cyano-1-(2-hydroxyprop-2-enylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]prop-2-enyl]-4-methoxy-1H-indole-2-carboxamide (PubChem CID 166893456) has the molecular formula C24H30N6O4 and a molecular weight of 466.54 g/mol. Its IUPAC name is N-[2-[[1-cyano-1-(2-hydroxyprop-2-enylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]prop-2-enyl]-4-methoxy-1H-indole-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[1-cyano-1-(2-hydroxyprop-2-enylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]prop-2-enyl]-4-methoxy-1H-indole-2-carboxamide
• PubChem CID: 166893456
• Molecular Formula: C24H30N6O4
• Molecular Weight: 466.54 g/mol
• Exact Mass: 466.23
• IUPAC Name: N-[2-[[1-cyano-1-(2-hydroxyprop-2-enylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]prop-2-enyl]-4-methoxy-1H-indole-2-carboxamide
• SMILES: C=C(O)CNC(C#N)C(CC1CCNC1=O)NC(=C)CNC(=O)c1cc2c(OC)cccc2[nH]1
• InChI: InChI=1S/C24H30N6O4/c1-14(12-28-24(33)20-10-17-18(30-20)5-4-6-22(17)34-3)29-19(9-16-7-8-26-23(16)32)21(11-25)27-13-15(2)31/h4-6,10,16,19,21,27,29-31H,1-2,7-9,12-13H2,3H3,(H,26,32)(H,28,33)
• InChIKey: YUUOMQRUHJRCCI-UHFFFAOYSA-N
• XLogP: 1.46
• TPSA: 151.30 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 7
• Rotatable Bonds: 12
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.54
LogP ≤ 5	1.46
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[2-[[1-cyano-1-(2-hydroxyprop-2-enylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]prop-2-enyl]-4-methoxy-1H-indole-2-carboxamide?

The IUPAC name of N-[2-[[1-cyano-1-(2-hydroxyprop-2-enylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]prop-2-enyl]-4-methoxy-1H-indole-2-carboxamide (CID 166893456) is N-[2-[[1-cyano-1-(2-hydroxyprop-2-enylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]prop-2-enyl]-4-methoxy-1H-indole-2-carboxamide.

What is the SMILES notation for N-[2-[[1-cyano-1-(2-hydroxyprop-2-enylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]prop-2-enyl]-4-methoxy-1H-indole-2-carboxamide?

The canonical SMILES for N-[2-[[1-cyano-1-(2-hydroxyprop-2-enylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]prop-2-enyl]-4-methoxy-1H-indole-2-carboxamide is C=C(O)CNC(C#N)C(CC1CCNC1=O)NC(=C)CNC(=O)c1cc2c(OC)cccc2[nH]1.

What is the InChIKey of N-[2-[[1-cyano-1-(2-hydroxyprop-2-enylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]prop-2-enyl]-4-methoxy-1H-indole-2-carboxamide?

The InChIKey is YUUOMQRUHJRCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O4/c1-14(12-28-24(33)20-10-17-18(30-20)5-4-6-22(17)34-3)29-19(9-16-7-8-26-23(16)32)21(11-25)27-13-15(2)31/h4-6,10,16,19,21,27,29-31H,1-2,7-9,12-13H2,3H3,(H,26,32)(H,28,33).

What are the key properties of N-[2-[[1-cyano-1-(2-hydroxyprop-2-enylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]prop-2-enyl]-4-methoxy-1H-indole-2-carboxamide?

N-[2-[[1-cyano-1-(2-hydroxyprop-2-enylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]prop-2-enyl]-4-methoxy-1H-indole-2-carboxamide has a molecular weight of 466.54 g/mol, XLogP of 1.46, 12 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[1-cyano-1-(2-hydroxyprop-2-enylamino)-3-(2-oxopyrrolidin-3-yl)propan-2-yl]amino]prop-2-enyl]-4-methoxy-1H-indole-2-carboxamide is sourced from PubChem (CID 166893456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).