2-amino-5-(1-methylpyrazol-4-yl)-N-[(3S,5S)-5-(phenylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide

C21H23N7O2 — CID 142326053

About 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3S,5S)-5-(phenylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide

2-amino-5-(1-methylpyrazol-4-yl)-N-[(3S,5S)-5-(phenylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide (PubChem CID 142326053) has the molecular formula C21H23N7O2 and a molecular weight of 405.46 g/mol. Its IUPAC name is 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3S,5S)-5-(phenylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3S,5S)-5-(phenylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
• PubChem CID: 142326053
• Molecular Formula: C21H23N7O2
• Molecular Weight: 405.46 g/mol
• Exact Mass: 405.19
• IUPAC Name: 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3S,5S)-5-(phenylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide
• SMILES: Cn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CN[C@H](C(=O)Nc4ccccc4)C3)c2)cn1
• InChI: InChI=1S/C21H23N7O2/c1-28-12-14(10-25-28)13-7-17(19(22)24-9-13)20(29)27-16-8-18(23-11-16)21(30)26-15-5-3-2-4-6-15/h2-7,9-10,12,16,18,23H,8,11H2,1H3,(H2,22,24)(H,26,30)(H,27,29)/t16-,18-/m0/s1
• InChIKey: VKCXAYBFBYLQNB-WMZOPIPTSA-N
• XLogP: 1.16
• TPSA: 126.96 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.46
LogP ≤ 5	1.16
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3S,5S)-5-(phenylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide (CID 142326053) is 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3S,5S)-5-(phenylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide.

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

The canonical SMILES for 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3S,5S)-5-(phenylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide is Cn1cc(-c2cnc(N)c(C(=O)N[C@@H]3CN[C@H](C(=O)Nc4ccccc4)C3)c2)cn1.

What is the InChIKey of 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3S,5S)-5-(phenylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide?

The InChIKey is VKCXAYBFBYLQNB-WMZOPIPTSA-N. The full InChI is InChI=1S/C21H23N7O2/c1-28-12-14(10-25-28)13-7-17(19(22)24-9-13)20(29)27-16-8-18(23-11-16)21(30)26-15-5-3-2-4-6-15/h2-7,9-10,12,16,18,23H,8,11H2,1H3,(H2,22,24)(H,26,30)(H,27,29)/t16-,18-/m0/s1.

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

2-amino-5-(1-methylpyrazol-4-yl)-N-[(3S,5S)-5-(phenylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide has a molecular weight of 405.46 g/mol, XLogP of 1.16, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-amino-5-(1-methylpyrazol-4-yl)-N-[(3S,5S)-5-(phenylcarbamoyl)pyrrolidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 142326053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).