N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide

C₂₅H₃₀N₄O₃ — CID 129045578

About N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide

N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide (PubChem CID 129045578) has the molecular formula C₂₅H₃₀N₄O₃ and a molecular weight of 434.54 g/mol. Its IUPAC name is N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide.

Molecular Properties

• Compound Name: N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide
• PubChem CID: 129045578
• Molecular Formula: C₂₅H₃₀N₄O₃
• Molecular Weight: 434.54 g/mol
• Exact Mass: 434.23
• IUPAC Name: N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide
• SMILES: COc1nc(C(=O)NCC2CCC[C@@H]2O)cc(Cc2ccc(-c3ccn(C)n3)cc2)c1C
• InChI: InChI=1S/C25H30N4O3/c1-16-20(13-17-7-9-18(10-8-17)21-11-12-29(2)28-21)14-22(27-25(16)32-3)24(31)26-15-19-5-4-6-23(19)30/h7-12,14,19,23,30H,4-6,13,15H2,1-3H3,(H,26,31)/t19?,23-/m0/s1
• InChIKey: ZAEVNYNRKGZSEX-BVHINDKJSA-N
• XLogP: 3.28
• TPSA: 89.27 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.54
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide?

The IUPAC name of N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide (CID 129045578) is N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide.

What is the SMILES notation for N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide?

The canonical SMILES for N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide is COc1nc(C(=O)NCC2CCC[C@@H]2O)cc(Cc2ccc(-c3ccn(C)n3)cc2)c1C.

What is the InChIKey of N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide?

The InChIKey is ZAEVNYNRKGZSEX-BVHINDKJSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-16-20(13-17-7-9-18(10-8-17)21-11-12-29(2)28-21)14-22(27-25(16)32-3)24(31)26-15-19-5-4-6-23(19)30/h7-12,14,19,23,30H,4-6,13,15H2,1-3H3,(H,26,31)/t19?,23-/m0/s1.

What are the key properties of N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide?

N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide has a molecular weight of 434.54 g/mol, XLogP of 3.28, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(2S)-2-hydroxycyclopentyl]methyl]-6-methoxy-5-methyl-4-[[4-(1-methylpyrazol-3-yl)phenyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 129045578), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 129045578 — identifiers, structure, computed properties (public domain)

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