N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(5-tert-butyl-2-pyridinyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;3-methoxy-N-(2-methylsulfanyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide

C80H101N11O8S — CID 159765678

About N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(5-tert-butyl-2-pyridinyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;3-methoxy-N-(2-methylsulfanyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide

N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(5-tert-butyl-2-pyridinyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;3-methoxy-N-(2-methylsulfanyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide (PubChem CID 159765678) has the molecular formula C80H101N11O8S and a molecular weight of 1376.82 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(5-tert-butyl-2-pyridinyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;3-methoxy-N-(2-methylsulfanyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide.

Molecular Properties

• Compound Name: N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(5-tert-butyl-2-pyridinyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;3-methoxy-N-(2-methylsulfanyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide
• PubChem CID: 159765678
• Molecular Formula: C80H101N11O8S
• Molecular Weight: 1376.82 g/mol
• Exact Mass: 1375.76
• IUPAC Name: N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(5-tert-butyl-2-pyridinyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;3-methoxy-N-(2-methylsulfanyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide
• SMILES: CCn1nc(NC(=O)c2cc3c(nc2OC)CCCCC3)cc1C.COc1cc2c(cc1C(=O)Nc1cccnc1SC)CCCCC2.COc1nc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cc1)CCCCC2.COc1nc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cn1)CCCCC2
• InChI: InChI=1S/C22H28N2O2.C21H27N3O2.C19H22N2O2S.C18H24N4O2/c1-22(2,3)16-10-12-17(13-11-16)23-20(25)18-14-15-8-6-5-7-9-19(15)24-21(18)26-4;1-21(2,3)15-10-11-18(22-13-15)24-19(25)16-12-14-8-6-5-7-9-17(14)23-20(16)26-4;1-23-17-12-14-8-5-3-4-7-13(14)11-15(17)18(22)21-16-9-6-10-20-19(16)24-2;1-4-22-12(2)10-16(21-22)20-17(23)14-11-13-8-6-5-7-9-15(13)19-18(14)24-3/h10-14H,5-9H2,1-4H3,(H,23,25);10-13H,5-9H2,1-4H3,(H,22,24,25);6,9-12H,3-5,7-8H2,1-2H3,(H,21,22);10-11H,4-9H2,1-3H3,(H,20,21,23)
• InChIKey: NFLRMCWFFHSZKO-UHFFFAOYSA-N
• XLogP: 16.68
• TPSA: 235.59 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 16
• Rotatable Bonds: 14
• Heavy Atoms: 100
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1376.82
LogP ≤ 5	16.68
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	16

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(5-tert-butyl-2-pyridinyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;3-methoxy-N-(2-methylsulfanyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide?

The IUPAC name of N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(5-tert-butyl-2-pyridinyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;3-methoxy-N-(2-methylsulfanyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide (CID 159765678) is N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(5-tert-butyl-2-pyridinyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;3-methoxy-N-(2-methylsulfanyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide.

What is the SMILES notation for N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(5-tert-butyl-2-pyridinyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;3-methoxy-N-(2-methylsulfanyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide?

The canonical SMILES for N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(5-tert-butyl-2-pyridinyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;3-methoxy-N-(2-methylsulfanyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide is CCn1nc(NC(=O)c2cc3c(nc2OC)CCCCC3)cc1C.COc1cc2c(cc1C(=O)Nc1cccnc1SC)CCCCC2.COc1nc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cc1)CCCCC2.COc1nc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cn1)CCCCC2.

What is the InChIKey of N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(5-tert-butyl-2-pyridinyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;3-methoxy-N-(2-methylsulfanyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide?

The InChIKey is NFLRMCWFFHSZKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2.C21H27N3O2.C19H22N2O2S.C18H24N4O2/c1-22(2,3)16-10-12-17(13-11-16)23-20(25)18-14-15-8-6-5-7-9-19(15)24-21(18)26-4;1-21(2,3)15-10-11-18(22-13-15)24-19(25)16-12-14-8-6-5-7-9-17(14)23-20(16)26-4;1-23-17-12-14-8-5-3-4-7-13(14)11-15(17)18(22)21-16-9-6-10-20-19(16)24-2;1-4-22-12(2)10-16(21-22)20-17(23)14-11-13-8-6-5-7-9-15(13)19-18(14)24-3/h10-14H,5-9H2,1-4H3,(H,23,25);10-13H,5-9H2,1-4H3,(H,22,24,25);6,9-12H,3-5,7-8H2,1-2H3,(H,21,22);10-11H,4-9H2,1-3H3,(H,20,21,23).

What are the key properties of N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(5-tert-butyl-2-pyridinyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;3-methoxy-N-(2-methylsulfanyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide?

N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(5-tert-butyl-2-pyridinyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;3-methoxy-N-(2-methylsulfanyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide has a molecular weight of 1376.82 g/mol, XLogP of 16.68, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.

Where does this data come from?

All data for N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(5-tert-butyl-2-pyridinyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;N-(1-ethyl-5-methylpyrazol-3-yl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide;3-methoxy-N-(2-methylsulfanyl-3-pyridinyl)-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide is sourced from PubChem (CID 159765678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).