N-methyl-5-[(pyridine-3-carbonylamino)methyl]-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

C23H26N6O2 — CID 128970072

About N-methyl-5-[(pyridine-3-carbonylamino)methyl]-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide

N-methyl-5-[(pyridine-3-carbonylamino)methyl]-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (PubChem CID 128970072) has the molecular formula C23H26N6O2 and a molecular weight of 418.50 g/mol. Its IUPAC name is N-methyl-5-[(pyridine-3-carbonylamino)methyl]-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-methyl-5-[(pyridine-3-carbonylamino)methyl]-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• PubChem CID: 128970072
• Molecular Formula: C23H26N6O2
• Molecular Weight: 418.50 g/mol
• Exact Mass: 418.21
• IUPAC Name: N-methyl-5-[(pyridine-3-carbonylamino)methyl]-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
• SMILES: CN(CCc1ccncc1)C(=O)c1cnn2c1CC(CNC(=O)c1cccnc1)CC2
• InChI: InChI=1S/C23H26N6O2/c1-28(11-6-17-4-9-24-10-5-17)23(31)20-16-27-29-12-7-18(13-21(20)29)14-26-22(30)19-3-2-8-25-15-19/h2-5,8-10,15-16,18H,6-7,11-14H2,1H3,(H,26,30)
• InChIKey: JJAZXMVTBMKFLZ-UHFFFAOYSA-N
• XLogP: 1.98
• TPSA: 93.01 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	418.50
LogP ≤ 5	1.98
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[(pyridine-3-carbonylamino)methyl]-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The IUPAC name of N-methyl-5-[(pyridine-3-carbonylamino)methyl]-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide (CID 128970072) is N-methyl-5-[(pyridine-3-carbonylamino)methyl]-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide.

What is the SMILES notation for N-methyl-5-[(pyridine-3-carbonylamino)methyl]-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The canonical SMILES for N-methyl-5-[(pyridine-3-carbonylamino)methyl]-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is CN(CCc1ccncc1)C(=O)c1cnn2c1CC(CNC(=O)c1cccnc1)CC2.

What is the InChIKey of N-methyl-5-[(pyridine-3-carbonylamino)methyl]-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

The InChIKey is JJAZXMVTBMKFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N6O2/c1-28(11-6-17-4-9-24-10-5-17)23(31)20-16-27-29-12-7-18(13-21(20)29)14-26-22(30)19-3-2-8-25-15-19/h2-5,8-10,15-16,18H,6-7,11-14H2,1H3,(H,26,30).

What are the key properties of N-methyl-5-[(pyridine-3-carbonylamino)methyl]-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide?

N-methyl-5-[(pyridine-3-carbonylamino)methyl]-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide has a molecular weight of 418.50 g/mol, XLogP of 1.98, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-5-[(pyridine-3-carbonylamino)methyl]-N-(2-pyridin-4-ylethyl)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide is sourced from PubChem (CID 128970072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).