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-(5-tert-butylpyrimidin-2-yl)-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

C100H127N15O10S — CID 162203175

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-(5-tert-butylpyrimidin-2-yl)-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-(5-tert-butylpyrimidin-2-yl)-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 162203175) has the molecular formula C100H127N15O10S and a molecular weight of 1731.28 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-(5-tert-butylpyrimidin-2-yl)-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-(5-tert-butylpyrimidin-2-yl)-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: 162203175
• Molecular Formula: C100H127N15O10S
• Molecular Weight: 1731.28 g/mol
• Exact Mass: 1729.96
• 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-(5-tert-butylpyrimidin-2-yl)-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.COc1nc2c(cc1C(=O)Nc1ncc(C(C)(C)C)cn1)CCCCC2
• InChI: InChI=1S/C22H28N2O2.C21H27N3O2.C20H26N4O2.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;1-20(2,3)14-11-21-19(22-12-14)24-17(25)15-10-13-8-6-5-7-9-16(13)23-18(15)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);10-12H,5-9H2,1-4H3,(H,21,22,24,25);6,9-12H,3-5,7-8H2,1-2H3,(H,21,22);10-11H,4-9H2,1-3H3,(H,20,21,23)
• InChIKey: ZRVSQJIJZBYGPB-UHFFFAOYSA-N
• XLogP: 20.38
• TPSA: 312.59 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 21
• Rotatable Bonds: 17
• Heavy Atoms: 126
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1731.28
LogP ≤ 5	20.38
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	21

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-(5-tert-butylpyrimidin-2-yl)-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-(5-tert-butylpyrimidin-2-yl)-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 162203175) 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-(5-tert-butylpyrimidin-2-yl)-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-(5-tert-butylpyrimidin-2-yl)-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-(5-tert-butylpyrimidin-2-yl)-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.COc1nc2c(cc1C(=O)Nc1ncc(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-(5-tert-butylpyrimidin-2-yl)-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 ZRVSQJIJZBYGPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2.C21H27N3O2.C20H26N4O2.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;1-20(2,3)14-11-21-19(22-12-14)24-17(25)15-10-13-8-6-5-7-9-16(13)23-18(15)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);10-12H,5-9H2,1-4H3,(H,21,22,24,25);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-(5-tert-butylpyrimidin-2-yl)-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-(5-tert-butylpyrimidin-2-yl)-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 1731.28 g/mol, XLogP of 20.38, 17 rotatable bonds, 5 hydrogen bond donors, and 21 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-(5-tert-butylpyrimidin-2-yl)-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 162203175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).