N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

C18H24N6O — CID 78086382

About N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide

N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (PubChem CID 78086382) has the molecular formula C18H24N6O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
• PubChem CID: 78086382
• Molecular Formula: C18H24N6O
• Molecular Weight: 340.43 g/mol
• Exact Mass: 340.20
• IUPAC Name: N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide
• SMILES: CN(CC1CC(c2ccccc2)NN1)C(=O)C1NCCc2[nH]cnc21
• InChI: InChI=1S/C18H24N6O/c1-24(18(25)17-16-14(7-8-19-17)20-11-21-16)10-13-9-15(23-22-13)12-5-3-2-4-6-12/h2-6,11,13,15,17,19,22-23H,7-10H2,1H3,(H,20,21)
• InChIKey: BRZHPNJQXJBKAP-UHFFFAOYSA-N
• XLogP: 0.66
• TPSA: 85.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	340.43
LogP ≤ 5	0.66
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?

The IUPAC name of N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide (CID 78086382) is N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide.

What is the SMILES notation for N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?

The canonical SMILES for N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is CN(CC1CC(c2ccccc2)NN1)C(=O)C1NCCc2[nH]cnc21.

What is the InChIKey of N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?

The InChIKey is BRZHPNJQXJBKAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O/c1-24(18(25)17-16-14(7-8-19-17)20-11-21-16)10-13-9-15(23-22-13)12-5-3-2-4-6-12/h2-6,11,13,15,17,19,22-23H,7-10H2,1H3,(H,20,21).

What are the key properties of N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide?

N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 0.66, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-methyl-N-[(5-phenylpyrazolidin-3-yl)methyl]-4,5,6,7-tetrahydro-1H-imidazo[4,5-c]pyridine-4-carboxamide is sourced from PubChem (CID 78086382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).