4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(dimethoxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-formylpyridine-2-carboxamide;(2S)-1-[[4-cyclopropyl-6-[2-[3-[3-[(4-cyclopropyl-5-formylpyridine-2-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]acetyl]-3-pyridinyl]methyl]piperidine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid

C84H90N8O12 — CID 167618919

About 4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(dimethoxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-formylpyridine-2-carboxamide;(2S)-1-[[4-cyclopropyl-6-[2-[3-[3-[(4-cyclopropyl-5-formylpyridine-2-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]acetyl]-3-pyridinyl]methyl]piperidine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid

4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(dimethoxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-formylpyridine-2-carboxamide;(2S)-1-[[4-cyclopropyl-6-[2-[3-[3-[(4-cyclopropyl-5-formylpyridine-2-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]acetyl]-3-pyridinyl]methyl]piperidine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid (PubChem CID 167618919) has the molecular formula C84H90N8O12 and a molecular weight of 1403.69 g/mol. Its IUPAC name is 4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(dimethoxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-formylpyridine-2-carboxamide;(2S)-1-[[4-cyclopropyl-6-[2-[3-[3-[(4-cyclopropyl-5-formylpyridine-2-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]acetyl]-3-pyridinyl]methyl]piperidine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid.

Molecular Properties

• Compound Name: 4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(dimethoxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-formylpyridine-2-carboxamide;(2S)-1-[[4-cyclopropyl-6-[2-[3-[3-[(4-cyclopropyl-5-formylpyridine-2-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]acetyl]-3-pyridinyl]methyl]piperidine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid
• PubChem CID: 167618919
• Molecular Formula: C84H90N8O12
• Molecular Weight: 1403.69 g/mol
• Exact Mass: 1402.67
• IUPAC Name: 4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(dimethoxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-formylpyridine-2-carboxamide;(2S)-1-[[4-cyclopropyl-6-[2-[3-[3-[(4-cyclopropyl-5-formylpyridine-2-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]acetyl]-3-pyridinyl]methyl]piperidine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid
• SMILES: COC(OC)c1cnc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(C5CC5)c(C=O)cn4)c3C)c2C)cc1C1CC1.Cc1c(CC(=O)c2cc(C3CC3)c(CN3CCCC[C@H]3C(=O)O)cn2)cccc1-c1cccc(NC(=O)c2cc(C3CC3)c(C=O)cn2)c1C.O=C(O)[C@@H]1CCCCN1
• InChI: InChI=1S/C41H42N4O5.C37H37N3O5.C6H11NO2/c1-24-28(17-39(47)36-18-33(26-12-13-26)29(20-42-36)22-45-16-4-3-11-38(45)41(49)50)7-5-8-31(24)32-9-6-10-35(25(32)2)44-40(48)37-19-34(27-14-15-27)30(23-46)21-43-37;1-21-25(15-35(42)33-17-30(24-13-14-24)31(19-39-33)37(44-3)45-4)7-5-8-27(21)28-9-6-10-32(22(28)2)40-36(43)34-16-29(23-11-12-23)26(20-41)18-38-34;8-6(9)5-3-1-2-4-7-5/h5-10,18-21,23,26-27,38H,3-4,11-17,22H2,1-2H3,(H,44,48)(H,49,50);5-10,16-20,23-24,37H,11-15H2,1-4H3,(H,40,43);5,7H,1-4H2,(H,8,9)/t38-;;5-/m0.0/s1
• InChIKey: MDRMUTSPRCXRME-XBJWVZOTSA-N
• XLogP: 14.95
• TPSA: 286.37 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 16
• Rotatable Bonds: 25
• Heavy Atoms: 104
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1403.69
LogP ≤ 5	14.95
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	16

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(dimethoxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-formylpyridine-2-carboxamide;(2S)-1-[[4-cyclopropyl-6-[2-[3-[3-[(4-cyclopropyl-5-formylpyridine-2-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]acetyl]-3-pyridinyl]methyl]piperidine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid?

The IUPAC name of 4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(dimethoxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-formylpyridine-2-carboxamide;(2S)-1-[[4-cyclopropyl-6-[2-[3-[3-[(4-cyclopropyl-5-formylpyridine-2-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]acetyl]-3-pyridinyl]methyl]piperidine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid (CID 167618919) is 4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(dimethoxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-formylpyridine-2-carboxamide;(2S)-1-[[4-cyclopropyl-6-[2-[3-[3-[(4-cyclopropyl-5-formylpyridine-2-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]acetyl]-3-pyridinyl]methyl]piperidine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid.

What is the SMILES notation for 4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(dimethoxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-formylpyridine-2-carboxamide;(2S)-1-[[4-cyclopropyl-6-[2-[3-[3-[(4-cyclopropyl-5-formylpyridine-2-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]acetyl]-3-pyridinyl]methyl]piperidine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid?

The canonical SMILES for 4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(dimethoxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-formylpyridine-2-carboxamide;(2S)-1-[[4-cyclopropyl-6-[2-[3-[3-[(4-cyclopropyl-5-formylpyridine-2-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]acetyl]-3-pyridinyl]methyl]piperidine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid is COC(OC)c1cnc(C(=O)Cc2cccc(-c3cccc(NC(=O)c4cc(C5CC5)c(C=O)cn4)c3C)c2C)cc1C1CC1.Cc1c(CC(=O)c2cc(C3CC3)c(CN3CCCC[C@H]3C(=O)O)cn2)cccc1-c1cccc(NC(=O)c2cc(C3CC3)c(C=O)cn2)c1C.O=C(O)[C@@H]1CCCCN1.

What is the InChIKey of 4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(dimethoxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-formylpyridine-2-carboxamide;(2S)-1-[[4-cyclopropyl-6-[2-[3-[3-[(4-cyclopropyl-5-formylpyridine-2-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]acetyl]-3-pyridinyl]methyl]piperidine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid?

The InChIKey is MDRMUTSPRCXRME-XBJWVZOTSA-N. The full InChI is InChI=1S/C41H42N4O5.C37H37N3O5.C6H11NO2/c1-24-28(17-39(47)36-18-33(26-12-13-26)29(20-42-36)22-45-16-4-3-11-38(45)41(49)50)7-5-8-31(24)32-9-6-10-35(25(32)2)44-40(48)37-19-34(27-14-15-27)30(23-46)21-43-37;1-21-25(15-35(42)33-17-30(24-13-14-24)31(19-39-33)37(44-3)45-4)7-5-8-27(21)28-9-6-10-32(22(28)2)40-36(43)34-16-29(23-11-12-23)26(20-41)18-38-34;8-6(9)5-3-1-2-4-7-5/h5-10,18-21,23,26-27,38H,3-4,11-17,22H2,1-2H3,(H,44,48)(H,49,50);5-10,16-20,23-24,37H,11-15H2,1-4H3,(H,40,43);5,7H,1-4H2,(H,8,9)/t38-;;5-/m0.0/s1.

What are the key properties of 4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(dimethoxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-formylpyridine-2-carboxamide;(2S)-1-[[4-cyclopropyl-6-[2-[3-[3-[(4-cyclopropyl-5-formylpyridine-2-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]acetyl]-3-pyridinyl]methyl]piperidine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid?

4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(dimethoxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-formylpyridine-2-carboxamide;(2S)-1-[[4-cyclopropyl-6-[2-[3-[3-[(4-cyclopropyl-5-formylpyridine-2-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]acetyl]-3-pyridinyl]methyl]piperidine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid has a molecular weight of 1403.69 g/mol, XLogP of 14.95, 25 rotatable bonds, 5 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for 4-cyclopropyl-N-[3-[3-[2-[4-cyclopropyl-5-(dimethoxymethyl)-2-pyridinyl]-2-oxoethyl]-2-methylphenyl]-2-methylphenyl]-5-formylpyridine-2-carboxamide;(2S)-1-[[4-cyclopropyl-6-[2-[3-[3-[(4-cyclopropyl-5-formylpyridine-2-carbonyl)amino]-2-methylphenyl]-2-methylphenyl]acetyl]-3-pyridinyl]methyl]piperidine-2-carboxylic acid;(2S)-piperidine-2-carboxylic acid is sourced from PubChem (CID 167618919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).