2-amino-N-[1-(1H-benzimidazole-2-carbonyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

C22H22N8O2 — CID 153439201

About 2-amino-N-[1-(1H-benzimidazole-2-carbonyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide

2-amino-N-[1-(1H-benzimidazole-2-carbonyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (PubChem CID 153439201) has the molecular formula C22H22N8O2 and a molecular weight of 430.47 g/mol. Its IUPAC name is 2-amino-N-[1-(1H-benzimidazole-2-carbonyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-N-[1-(1H-benzimidazole-2-carbonyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
• PubChem CID: 153439201
• Molecular Formula: C22H22N8O2
• Molecular Weight: 430.47 g/mol
• Exact Mass: 430.19
• IUPAC Name: 2-amino-N-[1-(1H-benzimidazole-2-carbonyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
• SMILES: Cn1cc(-c2cnc(N)c(C(=O)NC3CCN(C(=O)c4nc5ccccc5[nH]4)C3)c2)cn1
• InChI: InChI=1S/C22H22N8O2/c1-29-11-14(10-25-29)13-8-16(19(23)24-9-13)21(31)26-15-6-7-30(12-15)22(32)20-27-17-4-2-3-5-18(17)28-20/h2-5,8-11,15H,6-7,12H2,1H3,(H2,23,24)(H,26,31)(H,27,28)
• InChIKey: DLAZNNITKGFXAO-UHFFFAOYSA-N
• XLogP: 1.59
• TPSA: 134.82 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	430.47
LogP ≤ 5	1.59
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[1-(1H-benzimidazole-2-carbonyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?

The IUPAC name of 2-amino-N-[1-(1H-benzimidazole-2-carbonyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide (CID 153439201) is 2-amino-N-[1-(1H-benzimidazole-2-carbonyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide.

What is the SMILES notation for 2-amino-N-[1-(1H-benzimidazole-2-carbonyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?

The canonical SMILES for 2-amino-N-[1-(1H-benzimidazole-2-carbonyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is Cn1cc(-c2cnc(N)c(C(=O)NC3CCN(C(=O)c4nc5ccccc5[nH]4)C3)c2)cn1.

What is the InChIKey of 2-amino-N-[1-(1H-benzimidazole-2-carbonyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?

The InChIKey is DLAZNNITKGFXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N8O2/c1-29-11-14(10-25-29)13-8-16(19(23)24-9-13)21(31)26-15-6-7-30(12-15)22(32)20-27-17-4-2-3-5-18(17)28-20/h2-5,8-11,15H,6-7,12H2,1H3,(H2,23,24)(H,26,31)(H,27,28).

What are the key properties of 2-amino-N-[1-(1H-benzimidazole-2-carbonyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide?

2-amino-N-[1-(1H-benzimidazole-2-carbonyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide has a molecular weight of 430.47 g/mol, XLogP of 1.59, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-N-[1-(1H-benzimidazole-2-carbonyl)pyrrolidin-3-yl]-5-(1-methylpyrazol-4-yl)pyridine-3-carboxamide is sourced from PubChem (CID 153439201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).