N-[(2S)-2-hydroxycyclopentyl]-5-methoxy-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide

C22H24N4O3 — CID 129045248

About N-[(2S)-2-hydroxycyclopentyl]-5-methoxy-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide

N-[(2S)-2-hydroxycyclopentyl]-5-methoxy-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide (PubChem CID 129045248) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is N-[(2S)-2-hydroxycyclopentyl]-5-methoxy-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-hydroxycyclopentyl]-5-methoxy-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
• PubChem CID: 129045248
• Molecular Formula: C22H24N4O3
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.18
• IUPAC Name: N-[(2S)-2-hydroxycyclopentyl]-5-methoxy-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide
• SMILES: COc1cnc(C(=O)NC2CCC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1
• InChI: InChI=1S/C22H24N4O3/c1-29-21-14-23-19(22(28)25-18-4-2-5-20(18)27)13-16(21)12-15-6-8-17(9-7-15)26-11-3-10-24-26/h3,6-11,13-14,18,20,27H,2,4-5,12H2,1H3,(H,25,28)/t18?,20-/m0/s1
• InChIKey: BBIXDVUHYFZXHU-IJHRGXPZSA-N
• XLogP: 2.51
• TPSA: 89.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	2.51
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-hydroxycyclopentyl]-5-methoxy-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?

The IUPAC name of N-[(2S)-2-hydroxycyclopentyl]-5-methoxy-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide (CID 129045248) is N-[(2S)-2-hydroxycyclopentyl]-5-methoxy-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[(2S)-2-hydroxycyclopentyl]-5-methoxy-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?

The canonical SMILES for N-[(2S)-2-hydroxycyclopentyl]-5-methoxy-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide is COc1cnc(C(=O)NC2CCC[C@@H]2O)cc1Cc1ccc(-n2cccn2)cc1.

What is the InChIKey of N-[(2S)-2-hydroxycyclopentyl]-5-methoxy-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?

The InChIKey is BBIXDVUHYFZXHU-IJHRGXPZSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-29-21-14-23-19(22(28)25-18-4-2-5-20(18)27)13-16(21)12-15-6-8-17(9-7-15)26-11-3-10-24-26/h3,6-11,13-14,18,20,27H,2,4-5,12H2,1H3,(H,25,28)/t18?,20-/m0/s1.

What are the key properties of N-[(2S)-2-hydroxycyclopentyl]-5-methoxy-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide?

N-[(2S)-2-hydroxycyclopentyl]-5-methoxy-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 2.51, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-hydroxycyclopentyl]-5-methoxy-4-[(4-pyrazol-1-ylphenyl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 129045248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).