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

C19H26N6O — CID 154795631

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

4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-3-carboxamide (PubChem CID 154795631) has the molecular formula C19H26N6O and a molecular weight of 354.46 g/mol. Its IUPAC name is 4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-3-carboxamide
• PubChem CID: 154795631
• Molecular Formula: C19H26N6O
• Molecular Weight: 354.46 g/mol
• Exact Mass: 354.22
• IUPAC Name: 4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-3-carboxamide
• SMILES: Cn1nccc1[C@H]1[C@H](CNc2ccncc2C(N)=O)CCCN1C1CC1
• InChI: InChI=1S/C19H26N6O/c1-24-17(7-9-23-24)18-13(3-2-10-25(18)14-4-5-14)11-22-16-6-8-21-12-15(16)19(20)26/h6-9,12-14,18H,2-5,10-11H2,1H3,(H2,20,26)(H,21,22)/t13-,18+/m0/s1
• InChIKey: LMRONYDSOHFAMZ-SCLBCKFNSA-N
• XLogP: 1.94
• TPSA: 89.07 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	354.46
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-3-carboxamide (CID 154795631) is 4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-3-carboxamide.

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

The canonical SMILES for 4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-3-carboxamide is Cn1nccc1[C@H]1[C@H](CNc2ccncc2C(N)=O)CCCN1C1CC1.

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

The InChIKey is LMRONYDSOHFAMZ-SCLBCKFNSA-N. The full InChI is InChI=1S/C19H26N6O/c1-24-17(7-9-23-24)18-13(3-2-10-25(18)14-4-5-14)11-22-16-6-8-21-12-15(16)19(20)26/h6-9,12-14,18H,2-5,10-11H2,1H3,(H2,20,26)(H,21,22)/t13-,18+/m0/s1.

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

4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-3-carboxamide has a molecular weight of 354.46 g/mol, XLogP of 1.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[[(2R,3S)-1-cyclopropyl-2-(2-methylpyrazol-3-yl)piperidin-3-yl]methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 154795631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).