(5E)-1-oxo-N-pyridin-3-yl-5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide

C23H19N7O2 — CID 135873830

IUPAC(5E)-1-oxo-N-pyridin-3-yl-5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc2[nH]c3c(c2c1)/C(=N/Nc1ccccn1)CCNC3=O
InChIInChI=1S/C23H19N7O2/c31-22(27-15-4-3-9-24-13-15)14-6-7-17-16(12-14)20-18(8-11-26-23(32)21(20)28-17)29-30-19-5-1-2-10-25-19/h1-7,9-10,12-13,28H,8,11H2,(H,25,30)(H,26,32)(H,27,31)/b29-18+
InChIKeyGOFULCGKYSJEHH-RDRPBHBLSA-N
MW425.45 g/mol
LogP3.16
Rot. Bonds4

About (5E)-1-oxo-N-pyridin-3-yl-5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide

(5E)-1-oxo-N-pyridin-3-yl-5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide (PubChem CID 135873830) has the molecular formula C23H19N7O2 and a molecular weight of 425.45 g/mol. Its IUPAC name is (5E)-1-oxo-N-pyridin-3-yl-5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide.

Molecular Properties

Compound Name(5E)-1-oxo-N-pyridin-3-yl-5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide
PubChem CID135873830
Molecular FormulaC23H19N7O2
Molecular Weight425.45 g/mol
Exact Mass425.16
IUPAC Name(5E)-1-oxo-N-pyridin-3-yl-5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide
SMILESO=C(Nc1cccnc1)c1ccc2[nH]c3c(c2c1)/C(=N/Nc1ccccn1)CCNC3=O
InChIInChI=1S/C23H19N7O2/c31-22(27-15-4-3-9-24-13-15)14-6-7-17-16(12-14)20-18(8-11-26-23(32)21(20)28-17)29-30-19-5-1-2-10-25-19/h1-7,9-10,12-13,28H,8,11H2,(H,25,30)(H,26,32)(H,27,31)/b29-18+
InChIKeyGOFULCGKYSJEHH-RDRPBHBLSA-N
XLogP3.16
TPSA124.16 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.45
LogP ≤ 53.16
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (5E)-1-oxo-N-pyridin-3-yl-5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide with MolForge

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Related Compounds

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
5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indol-1-one
CID 136657234
9-oxo-N-pyridin-3-yl-10H-acridine-2-carboxamide
CID 75511238
(8E)-8-(methylhydrazinylidene)-N-pyridin-3-yl-5,6,7,9-tetrahydrocarbazole-3-carboxamide
CID 135465352
N-pyridin-2-yl-9H-pyrido[2,3-b]indole-6-carboxamide
CID 11644941
[(1-oxo-2,3,4,10-tetrahydroazepino[3,4-b]indol-5-ylidene)amino]urea
CID 136501195
N-pyridin-3-yl-2,3-dihydro-1H-indole-5-carboxamide
CID 43142430
1-N,3-N-dipyridin-3-ylbenzene-1,3-dicarboxamide
CID 679756
7-chloro-5-(2-pyridin-3-ylhydrazinyl)-3,10-dihydro-2H-azepino[3,4-b]indol-1-one
CID 90694727
2-methyl-1,3-dioxo-N-pyridin-3-ylisoindole-5-carboxamide
CID 973223
N-pyridin-3-ylbenzamide;dihydrochloride
CID 174671785
2-hydroxy-3-[5-[1-(4-methylpiperazin-1-yl)prop-2-enylsulfonyl]-2-pyridinyl]-N-pyridin-3-yl-1H-indole-5-carboxamide
CID 174495982

Frequently Asked Questions

What is the IUPAC name of (5E)-1-oxo-N-pyridin-3-yl-5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide?
The IUPAC name of (5E)-1-oxo-N-pyridin-3-yl-5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide (CID 135873830) is (5E)-1-oxo-N-pyridin-3-yl-5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide.
What is the SMILES notation for (5E)-1-oxo-N-pyridin-3-yl-5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide?
The canonical SMILES for (5E)-1-oxo-N-pyridin-3-yl-5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide is O=C(Nc1cccnc1)c1ccc2[nH]c3c(c2c1)/C(=N/Nc1ccccn1)CCNC3=O.
What is the InChIKey of (5E)-1-oxo-N-pyridin-3-yl-5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide?
The InChIKey is GOFULCGKYSJEHH-RDRPBHBLSA-N. The full InChI is InChI=1S/C23H19N7O2/c31-22(27-15-4-3-9-24-13-15)14-6-7-17-16(12-14)20-18(8-11-26-23(32)21(20)28-17)29-30-19-5-1-2-10-25-19/h1-7,9-10,12-13,28H,8,11H2,(H,25,30)(H,26,32)(H,27,31)/b29-18+.
What are the key properties of (5E)-1-oxo-N-pyridin-3-yl-5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide?
(5E)-1-oxo-N-pyridin-3-yl-5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide has a molecular weight of 425.45 g/mol, XLogP of 3.16, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-1-oxo-N-pyridin-3-yl-5-(pyridin-2-ylhydrazinylidene)-2,3,4,10-tetrahydroazepino[3,4-b]indole-7-carboxamide is sourced from PubChem (CID 135873830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).