(2R,4S)-4-[methyl(pyridin-3-ylmethyl)amino]-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid

C19H24N4O3 — CID 124521604

About (2R,4S)-4-[methyl(pyridin-3-ylmethyl)amino]-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid

(2R,4S)-4-[methyl(pyridin-3-ylmethyl)amino]-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid (PubChem CID 124521604) has the molecular formula C19H24N4O3 and a molecular weight of 356.43 g/mol. Its IUPAC name is (2R,4S)-4-[methyl(pyridin-3-ylmethyl)amino]-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

• Compound Name: (2R,4S)-4-[methyl(pyridin-3-ylmethyl)amino]-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
• PubChem CID: 124521604
• Molecular Formula: C19H24N4O3
• Molecular Weight: 356.43 g/mol
• Exact Mass: 356.18
• IUPAC Name: (2R,4S)-4-[methyl(pyridin-3-ylmethyl)amino]-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid
• SMILES: CN(Cc1cccnc1)[C@H]1CCN(C(=O)c2cccn2C)[C@@H](C(=O)O)C1
• InChI: InChI=1S/C19H24N4O3/c1-21-9-4-6-16(21)18(24)23-10-7-15(11-17(23)19(25)26)22(2)13-14-5-3-8-20-12-14/h3-6,8-9,12,15,17H,7,10-11,13H2,1-2H3,(H,25,26)/t15-,17+/m0/s1
• InChIKey: YCWCCJBFWWJMDM-DOTOQJQBSA-N
• XLogP: 1.61
• TPSA: 78.67 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	356.43
LogP ≤ 5	1.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-[methyl(pyridin-3-ylmethyl)amino]-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?

The IUPAC name of (2R,4S)-4-[methyl(pyridin-3-ylmethyl)amino]-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid (CID 124521604) is (2R,4S)-4-[methyl(pyridin-3-ylmethyl)amino]-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid.

What is the SMILES notation for (2R,4S)-4-[methyl(pyridin-3-ylmethyl)amino]-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?

The canonical SMILES for (2R,4S)-4-[methyl(pyridin-3-ylmethyl)amino]-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid is CN(Cc1cccnc1)[C@H]1CCN(C(=O)c2cccn2C)[C@@H](C(=O)O)C1.

What is the InChIKey of (2R,4S)-4-[methyl(pyridin-3-ylmethyl)amino]-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?

The InChIKey is YCWCCJBFWWJMDM-DOTOQJQBSA-N. The full InChI is InChI=1S/C19H24N4O3/c1-21-9-4-6-16(21)18(24)23-10-7-15(11-17(23)19(25)26)22(2)13-14-5-3-8-20-12-14/h3-6,8-9,12,15,17H,7,10-11,13H2,1-2H3,(H,25,26)/t15-,17+/m0/s1.

What are the key properties of (2R,4S)-4-[methyl(pyridin-3-ylmethyl)amino]-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid?

(2R,4S)-4-[methyl(pyridin-3-ylmethyl)amino]-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 356.43 g/mol, XLogP of 1.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (2R,4S)-4-[methyl(pyridin-3-ylmethyl)amino]-1-(1-methylpyrrole-2-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 124521604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).