1,5-dioxo-N-pyridin-3-yl-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide;N-(methylideneamino)pyridin-2-amine;1-oxo-N-pyridin-3-yl-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indole-7-carboxamide;pyridin-2-ylhydrazine

C47H44N14O5 — CID 159389333

About 1,5-dioxo-N-pyridin-3-yl-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide;N-(methylideneamino)pyridin-2-amine;1-oxo-N-pyridin-3-yl-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indole-7-carboxamide;pyridin-2-ylhydrazine

1,5-dioxo-N-pyridin-3-yl-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide;N-(methylideneamino)pyridin-2-amine;1-oxo-N-pyridin-3-yl-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indole-7-carboxamide;pyridin-2-ylhydrazine (PubChem CID 159389333) has the molecular formula C47H44N14O5 and a molecular weight of 884.96 g/mol. Its IUPAC name is 1,5-dioxo-N-pyridin-3-yl-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide;N-(methylideneamino)pyridin-2-amine;1-oxo-N-pyridin-3-yl-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indole-7-carboxamide;pyridin-2-ylhydrazine.

Molecular Properties

• Compound Name: 1,5-dioxo-N-pyridin-3-yl-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide;N-(methylideneamino)pyridin-2-amine;1-oxo-N-pyridin-3-yl-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indole-7-carboxamide;pyridin-2-ylhydrazine
• PubChem CID: 159389333
• Molecular Formula: C47H44N14O5
• Molecular Weight: 884.96 g/mol
• Exact Mass: 884.36
• IUPAC Name: 1,5-dioxo-N-pyridin-3-yl-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide;N-(methylideneamino)pyridin-2-amine;1-oxo-N-pyridin-3-yl-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indole-7-carboxamide;pyridin-2-ylhydrazine
• SMILES: C=NNc1ccccn1.NNc1ccccn1.O=C(Nc1cccnc1)c1ccc2[nH]c3c(c2c1)C(=O)CCNC3=O.O=C(Nc1cccnc1)c1ccc2[nH]c3c(c2c1)CCCNC3=O
• InChI: InChI=1S/C18H14N4O3.C18H16N4O2.C6H7N3.C5H7N3/c23-14-5-7-20-18(25)16-15(14)12-8-10(3-4-13(12)22-16)17(24)21-11-2-1-6-19-9-11;23-17(21-12-3-1-7-19-10-12)11-5-6-15-14(9-11)13-4-2-8-20-18(24)16(13)22-15;1-7-9-6-4-2-3-5-8-6;6-8-5-3-1-2-4-7-5/h1-4,6,8-9,22H,5,7H2,(H,20,25)(H,21,24);1,3,5-7,9-10,22H,2,4,8H2,(H,20,24)(H,21,23);2-5H,1H2,(H,8,9);1-4H,6H2,(H,7,8)
• InChIKey: LLXJHJXRJGAOAQ-UHFFFAOYSA-N
• XLogP: 6.10
• TPSA: 279.05 Ų
• H-Bond Donors: 9
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 66
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	884.96
LogP ≤ 5	6.10
H-Bond Donors ≤ 5	9
H-Bond Acceptors ≤ 10	13

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1,5-dioxo-N-pyridin-3-yl-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide;N-(methylideneamino)pyridin-2-amine;1-oxo-N-pyridin-3-yl-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indole-7-carboxamide;pyridin-2-ylhydrazine?

The IUPAC name of 1,5-dioxo-N-pyridin-3-yl-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide;N-(methylideneamino)pyridin-2-amine;1-oxo-N-pyridin-3-yl-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indole-7-carboxamide;pyridin-2-ylhydrazine (CID 159389333) is 1,5-dioxo-N-pyridin-3-yl-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide;N-(methylideneamino)pyridin-2-amine;1-oxo-N-pyridin-3-yl-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indole-7-carboxamide;pyridin-2-ylhydrazine.

What is the SMILES notation for 1,5-dioxo-N-pyridin-3-yl-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide;N-(methylideneamino)pyridin-2-amine;1-oxo-N-pyridin-3-yl-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indole-7-carboxamide;pyridin-2-ylhydrazine?

The canonical SMILES for 1,5-dioxo-N-pyridin-3-yl-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide;N-(methylideneamino)pyridin-2-amine;1-oxo-N-pyridin-3-yl-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indole-7-carboxamide;pyridin-2-ylhydrazine is C=NNc1ccccn1.NNc1ccccn1.O=C(Nc1cccnc1)c1ccc2[nH]c3c(c2c1)C(=O)CCNC3=O.O=C(Nc1cccnc1)c1ccc2[nH]c3c(c2c1)CCCNC3=O.

What is the InChIKey of 1,5-dioxo-N-pyridin-3-yl-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide;N-(methylideneamino)pyridin-2-amine;1-oxo-N-pyridin-3-yl-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indole-7-carboxamide;pyridin-2-ylhydrazine?

The InChIKey is LLXJHJXRJGAOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3.C18H16N4O2.C6H7N3.C5H7N3/c23-14-5-7-20-18(25)16-15(14)12-8-10(3-4-13(12)22-16)17(24)21-11-2-1-6-19-9-11;23-17(21-12-3-1-7-19-10-12)11-5-6-15-14(9-11)13-4-2-8-20-18(24)16(13)22-15;1-7-9-6-4-2-3-5-8-6;6-8-5-3-1-2-4-7-5/h1-4,6,8-9,22H,5,7H2,(H,20,25)(H,21,24);1,3,5-7,9-10,22H,2,4,8H2,(H,20,24)(H,21,23);2-5H,1H2,(H,8,9);1-4H,6H2,(H,7,8).

What are the key properties of 1,5-dioxo-N-pyridin-3-yl-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide;N-(methylideneamino)pyridin-2-amine;1-oxo-N-pyridin-3-yl-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indole-7-carboxamide;pyridin-2-ylhydrazine?

1,5-dioxo-N-pyridin-3-yl-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide;N-(methylideneamino)pyridin-2-amine;1-oxo-N-pyridin-3-yl-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indole-7-carboxamide;pyridin-2-ylhydrazine has a molecular weight of 884.96 g/mol, XLogP of 6.10, 7 rotatable bonds, 9 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 1,5-dioxo-N-pyridin-3-yl-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide;N-(methylideneamino)pyridin-2-amine;1-oxo-N-pyridin-3-yl-3,4,5,10-tetrahydro-2H-azepino[3,4-b]indole-7-carboxamide;pyridin-2-ylhydrazine is sourced from PubChem (CID 159389333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).