N-[4-amino-3,4-dioxo-1-(1H-pyrrol-2-yl)butan-2-yl]-4-pyridin-2-yl-1H-pyrrole-3-carboxamide

C18H17N5O3 — CID 153484119

About N-[4-amino-3,4-dioxo-1-(1H-pyrrol-2-yl)butan-2-yl]-4-pyridin-2-yl-1H-pyrrole-3-carboxamide

N-[4-amino-3,4-dioxo-1-(1H-pyrrol-2-yl)butan-2-yl]-4-pyridin-2-yl-1H-pyrrole-3-carboxamide (PubChem CID 153484119) has the molecular formula C18H17N5O3 and a molecular weight of 351.37 g/mol. Its IUPAC name is N-[4-amino-3,4-dioxo-1-(1H-pyrrol-2-yl)butan-2-yl]-4-pyridin-2-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-amino-3,4-dioxo-1-(1H-pyrrol-2-yl)butan-2-yl]-4-pyridin-2-yl-1H-pyrrole-3-carboxamide
• PubChem CID: 153484119
• Molecular Formula: C18H17N5O3
• Molecular Weight: 351.37 g/mol
• Exact Mass: 351.13
• IUPAC Name: N-[4-amino-3,4-dioxo-1-(1H-pyrrol-2-yl)butan-2-yl]-4-pyridin-2-yl-1H-pyrrole-3-carboxamide
• SMILES: NC(=O)C(=O)C(Cc1ccc[nH]1)NC(=O)c1c[nH]cc1-c1ccccn1
• InChI: InChI=1S/C18H17N5O3/c19-17(25)16(24)15(8-11-4-3-7-21-11)23-18(26)13-10-20-9-12(13)14-5-1-2-6-22-14/h1-7,9-10,15,20-21H,8H2,(H2,19,25)(H,23,26)
• InChIKey: FJYYTCTUVMUTOT-UHFFFAOYSA-N
• XLogP: 0.80
• TPSA: 133.73 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 4
• Rotatable Bonds: 7
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.37
LogP ≤ 5	0.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	4

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[4-amino-3,4-dioxo-1-(1H-pyrrol-2-yl)butan-2-yl]-4-pyridin-2-yl-1H-pyrrole-3-carboxamide?

The IUPAC name of N-[4-amino-3,4-dioxo-1-(1H-pyrrol-2-yl)butan-2-yl]-4-pyridin-2-yl-1H-pyrrole-3-carboxamide (CID 153484119) is N-[4-amino-3,4-dioxo-1-(1H-pyrrol-2-yl)butan-2-yl]-4-pyridin-2-yl-1H-pyrrole-3-carboxamide.

What is the SMILES notation for N-[4-amino-3,4-dioxo-1-(1H-pyrrol-2-yl)butan-2-yl]-4-pyridin-2-yl-1H-pyrrole-3-carboxamide?

The canonical SMILES for N-[4-amino-3,4-dioxo-1-(1H-pyrrol-2-yl)butan-2-yl]-4-pyridin-2-yl-1H-pyrrole-3-carboxamide is NC(=O)C(=O)C(Cc1ccc[nH]1)NC(=O)c1c[nH]cc1-c1ccccn1.

What is the InChIKey of N-[4-amino-3,4-dioxo-1-(1H-pyrrol-2-yl)butan-2-yl]-4-pyridin-2-yl-1H-pyrrole-3-carboxamide?

The InChIKey is FJYYTCTUVMUTOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5O3/c19-17(25)16(24)15(8-11-4-3-7-21-11)23-18(26)13-10-20-9-12(13)14-5-1-2-6-22-14/h1-7,9-10,15,20-21H,8H2,(H2,19,25)(H,23,26).

What are the key properties of N-[4-amino-3,4-dioxo-1-(1H-pyrrol-2-yl)butan-2-yl]-4-pyridin-2-yl-1H-pyrrole-3-carboxamide?

N-[4-amino-3,4-dioxo-1-(1H-pyrrol-2-yl)butan-2-yl]-4-pyridin-2-yl-1H-pyrrole-3-carboxamide has a molecular weight of 351.37 g/mol, XLogP of 0.80, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-amino-3,4-dioxo-1-(1H-pyrrol-2-yl)butan-2-yl]-4-pyridin-2-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 153484119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).