N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

C31H35N5O2 — CID 59597315

About N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide

N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (PubChem CID 59597315) has the molecular formula C31H35N5O2 and a molecular weight of 509.65 g/mol. Its IUPAC name is N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

Molecular Properties

• Compound Name: N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
• PubChem CID: 59597315
• Molecular Formula: C31H35N5O2
• Molecular Weight: 509.65 g/mol
• Exact Mass: 509.28
• IUPAC Name: N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide
• SMILES: CCc1ccc(Cn2cc(CN(C(=O)C3CCCc4c(O)cccc43)c3ccc(C(C)C)nc3)cn2)nc1
• InChI: InChI=1S/C31H35N5O2/c1-4-22-11-12-24(32-15-22)20-35-18-23(16-34-35)19-36(25-13-14-29(21(2)3)33-17-25)31(38)28-9-5-8-27-26(28)7-6-10-30(27)37/h6-7,10-18,21,28,37H,4-5,8-9,19-20H2,1-3H3
• InChIKey: MWVTUEZFXMMNRN-UHFFFAOYSA-N
• XLogP: 5.77
• TPSA: 84.14 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	509.65
LogP ≤ 5	5.77
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?

The IUPAC name of N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide (CID 59597315) is N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide.

What is the SMILES notation for N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?

The canonical SMILES for N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is CCc1ccc(Cn2cc(CN(C(=O)C3CCCc4c(O)cccc43)c3ccc(C(C)C)nc3)cn2)nc1.

What is the InChIKey of N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?

The InChIKey is MWVTUEZFXMMNRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N5O2/c1-4-22-11-12-24(32-15-22)20-35-18-23(16-34-35)19-36(25-13-14-29(21(2)3)33-17-25)31(38)28-9-5-8-27-26(28)7-6-10-30(27)37/h6-7,10-18,21,28,37H,4-5,8-9,19-20H2,1-3H3.

What are the key properties of N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide?

N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide has a molecular weight of 509.65 g/mol, XLogP of 5.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[1-[(5-ethyl-2-pyridinyl)methyl]pyrazol-4-yl]methyl]-5-hydroxy-N-(6-propan-2-yl-3-pyridinyl)-1,2,3,4-tetrahydronaphthalene-1-carboxamide is sourced from PubChem (CID 59597315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).