2-methyl-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

C17H23N5O — CID 95216925

About 2-methyl-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide

2-methyl-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (PubChem CID 95216925) has the molecular formula C17H23N5O and a molecular weight of 313.40 g/mol. Its IUPAC name is 2-methyl-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 2-methyl-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
• PubChem CID: 95216925
• Molecular Formula: C17H23N5O
• Molecular Weight: 313.40 g/mol
• Exact Mass: 313.19
• IUPAC Name: 2-methyl-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide
• SMILES: Cc1ncccc1C(=O)NC[C@@H]1CCN(Cc2cnn(C)c2)C1
• InChI: InChI=1S/C17H23N5O/c1-13-16(4-3-6-18-13)17(23)19-8-14-5-7-22(11-14)12-15-9-20-21(2)10-15/h3-4,6,9-10,14H,5,7-8,11-12H2,1-2H3,(H,19,23)/t14-/m0/s1
• InChIKey: AGZXFVNSAJEWNC-AWEZNQCLSA-N
• XLogP: 1.38
• TPSA: 63.05 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	313.40
LogP ≤ 5	1.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 2-methyl-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide (CID 95216925) is 2-methyl-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide.

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

The canonical SMILES for 2-methyl-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is Cc1ncccc1C(=O)NC[C@@H]1CCN(Cc2cnn(C)c2)C1.

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

The InChIKey is AGZXFVNSAJEWNC-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N5O/c1-13-16(4-3-6-18-13)17(23)19-8-14-5-7-22(11-14)12-15-9-20-21(2)10-15/h3-4,6,9-10,14H,5,7-8,11-12H2,1-2H3,(H,19,23)/t14-/m0/s1.

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

2-methyl-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide has a molecular weight of 313.40 g/mol, XLogP of 1.38, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methyl-N-[[(3S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-3-yl]methyl]pyridine-3-carboxamide is sourced from PubChem (CID 95216925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).