N-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-7-nitroso-1H-indole-2-carboxamide

C18H17N7O2 — CID 89211992

IUPACN-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-7-nitroso-1H-indole-2-carboxamide
SMILESC/C(=N\N=C(N)N)c1ccc(NC(=O)c2cc3cccc(N=O)c3[nH]2)cc1
InChIInChI=1S/C18H17N7O2/c1-10(23-24-18(19)20)11-5-7-13(8-6-11)21-17(26)15-9-12-3-2-4-14(25-27)16(12)22-15/h2-9,22H,1H3,(H,21,26)(H4,19,20,24)/b23-10+
InChIKeyYAEKIEVJJDFWHO-AUEPDCJTSA-N
MW363.38 g/mol
LogP2.82
Rot. Bonds5

About N-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-7-nitroso-1H-indole-2-carboxamide

N-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-7-nitroso-1H-indole-2-carboxamide (PubChem CID 89211992) has the molecular formula C18H17N7O2 and a molecular weight of 363.38 g/mol. Its IUPAC name is N-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-7-nitroso-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-7-nitroso-1H-indole-2-carboxamide
PubChem CID89211992
Molecular FormulaC18H17N7O2
Molecular Weight363.38 g/mol
Exact Mass363.14
IUPAC NameN-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-7-nitroso-1H-indole-2-carboxamide
SMILESC/C(=N\N=C(N)N)c1ccc(NC(=O)c2cc3cccc(N=O)c3[nH]2)cc1
InChIInChI=1S/C18H17N7O2/c1-10(23-24-18(19)20)11-5-7-13(8-6-11)21-17(26)15-9-12-3-2-4-14(25-27)16(12)22-15/h2-9,22H,1H3,(H,21,26)(H4,19,20,24)/b23-10+
InChIKeyYAEKIEVJJDFWHO-AUEPDCJTSA-N
XLogP2.82
TPSA151.08 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.38
LogP ≤ 52.82
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-methoxy-7-nitroso-1H-indole-2-carboxamide
CID 89211804
[2-[[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]carbamoyl]-1H-indol-7-yl]-iodosyl-oxoazanium
CID 177365095
7-amino-N-[4-[(E)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1H-indole-2-carboxamide
CID 172922337
N-[4-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-6-methyl-1H-indole-2-carboxamide
CID 123184653
N-(4-acetylphenyl)-5-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-1H-indole-2-carboxamide
CID 123401277
4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-N-[3-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]benzamide
CID 11165294
N-[4-[(E)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-6-methoxy-1H-indole-2-carboxamide
CID 172935644
N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-6-(ethylamino)-1H-indole-2-carboxamide
CID 91510178
5-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-N-(4-imidazol-1-ylphenyl)-1H-indole-2-carboxamide
CID 76562322
N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-6-methylsulfonyl-1H-indole-2-carboxamide
CID 91235599
5-[2-(diaminomethyl)hydrazinyl]-N-[4-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]naphthalene-2-carboxamide
CID 90972951
6-acetamido-N-[4-[(E)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-methoxy-1H-indole-2-carboxamide
CID 172973075

Frequently Asked Questions

What is the IUPAC name of N-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-7-nitroso-1H-indole-2-carboxamide?
The IUPAC name of N-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-7-nitroso-1H-indole-2-carboxamide (CID 89211992) is N-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-7-nitroso-1H-indole-2-carboxamide.
What is the SMILES notation for N-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-7-nitroso-1H-indole-2-carboxamide?
The canonical SMILES for N-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-7-nitroso-1H-indole-2-carboxamide is C/C(=N\N=C(N)N)c1ccc(NC(=O)c2cc3cccc(N=O)c3[nH]2)cc1.
What is the InChIKey of N-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-7-nitroso-1H-indole-2-carboxamide?
The InChIKey is YAEKIEVJJDFWHO-AUEPDCJTSA-N. The full InChI is InChI=1S/C18H17N7O2/c1-10(23-24-18(19)20)11-5-7-13(8-6-11)21-17(26)15-9-12-3-2-4-14(25-27)16(12)22-15/h2-9,22H,1H3,(H,21,26)(H4,19,20,24)/b23-10+.
What are the key properties of N-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-7-nitroso-1H-indole-2-carboxamide?
N-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-7-nitroso-1H-indole-2-carboxamide has a molecular weight of 363.38 g/mol, XLogP of 2.82, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-7-nitroso-1H-indole-2-carboxamide is sourced from PubChem (CID 89211992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).