4-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridine-2-carboxamide

C18H26N6O — CID 128981639

About 4-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridine-2-carboxamide

4-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridine-2-carboxamide (PubChem CID 128981639) has the molecular formula C18H26N6O and a molecular weight of 342.45 g/mol. Its IUPAC name is 4-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: 4-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridine-2-carboxamide
• PubChem CID: 128981639
• Molecular Formula: C18H26N6O
• Molecular Weight: 342.45 g/mol
• Exact Mass: 342.22
• IUPAC Name: 4-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridine-2-carboxamide
• SMILES: CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)c1ccnc(C(N)=O)c1
• InChI: InChI=1S/C18H26N6O/c1-22-10-4-5-13(17(22)16-7-9-21-24(16)3)12-23(2)14-6-8-20-15(11-14)18(19)25/h6-9,11,13,17H,4-5,10,12H2,1-3H3,(H2,19,25)/t13-,17+/m0/s1
• InChIKey: IHAUJOLLUDQFDH-SUMWQHHRSA-N
• XLogP: 1.43
• TPSA: 80.28 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	342.45
LogP ≤ 5	1.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridine-2-carboxamide?

The IUPAC name of 4-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridine-2-carboxamide (CID 128981639) is 4-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridine-2-carboxamide.

What is the SMILES notation for 4-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridine-2-carboxamide?

The canonical SMILES for 4-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridine-2-carboxamide is CN(C[C@@H]1CCCN(C)[C@H]1c1ccnn1C)c1ccnc(C(N)=O)c1.

What is the InChIKey of 4-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridine-2-carboxamide?

The InChIKey is IHAUJOLLUDQFDH-SUMWQHHRSA-N. The full InChI is InChI=1S/C18H26N6O/c1-22-10-4-5-13(17(22)16-7-9-21-24(16)3)12-23(2)14-6-8-20-15(11-14)18(19)25/h6-9,11,13,17H,4-5,10,12H2,1-3H3,(H2,19,25)/t13-,17+/m0/s1.

What are the key properties of 4-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridine-2-carboxamide?

4-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridine-2-carboxamide has a molecular weight of 342.45 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[methyl-[[(2R,3S)-1-methyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methyl]amino]pyridine-2-carboxamide is sourced from PubChem (CID 128981639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).