N-(cyclopropylmethyl)-6-[(3S)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]pyridine-3-carboxamide

C19H24N6O2 — CID 92621550

About N-(cyclopropylmethyl)-6-[(3S)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]pyridine-3-carboxamide

N-(cyclopropylmethyl)-6-[(3S)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]pyridine-3-carboxamide (PubChem CID 92621550) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-[(3S)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-(cyclopropylmethyl)-6-[(3S)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]pyridine-3-carboxamide
• PubChem CID: 92621550
• Molecular Formula: C19H24N6O2
• Molecular Weight: 368.44 g/mol
• Exact Mass: 368.20
• IUPAC Name: N-(cyclopropylmethyl)-6-[(3S)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]pyridine-3-carboxamide
• SMILES: O=C(NCC1CC1)c1ccc([C@H]2CCCN(C(=O)Cn3cncn3)C2)nc1
• InChI: InChI=1S/C19H24N6O2/c26-18(11-25-13-20-12-23-25)24-7-1-2-16(10-24)17-6-5-15(9-21-17)19(27)22-8-14-3-4-14/h5-6,9,12-14,16H,1-4,7-8,10-11H2,(H,22,27)/t16-/m0/s1
• InChIKey: XJJAWTSICREVER-INIZCTEOSA-N
• XLogP: 1.22
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	368.44
LogP ≤ 5	1.22
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-[(3S)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]pyridine-3-carboxamide?

The IUPAC name of N-(cyclopropylmethyl)-6-[(3S)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]pyridine-3-carboxamide (CID 92621550) is N-(cyclopropylmethyl)-6-[(3S)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]pyridine-3-carboxamide.

What is the SMILES notation for N-(cyclopropylmethyl)-6-[(3S)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]pyridine-3-carboxamide?

The canonical SMILES for N-(cyclopropylmethyl)-6-[(3S)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]pyridine-3-carboxamide is O=C(NCC1CC1)c1ccc([C@H]2CCCN(C(=O)Cn3cncn3)C2)nc1.

What is the InChIKey of N-(cyclopropylmethyl)-6-[(3S)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]pyridine-3-carboxamide?

The InChIKey is XJJAWTSICREVER-INIZCTEOSA-N. The full InChI is InChI=1S/C19H24N6O2/c26-18(11-25-13-20-12-23-25)24-7-1-2-16(10-24)17-6-5-15(9-21-17)19(27)22-8-14-3-4-14/h5-6,9,12-14,16H,1-4,7-8,10-11H2,(H,22,27)/t16-/m0/s1.

What are the key properties of N-(cyclopropylmethyl)-6-[(3S)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]pyridine-3-carboxamide?

N-(cyclopropylmethyl)-6-[(3S)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]pyridine-3-carboxamide has a molecular weight of 368.44 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-(cyclopropylmethyl)-6-[(3S)-1-[2-(1,2,4-triazol-1-yl)acetyl]piperidin-3-yl]pyridine-3-carboxamide is sourced from PubChem (CID 92621550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).