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

C19H20N6O — CID 172922337

IUPAC7-amino-N-[4-[(E)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1H-indole-2-carboxamide
SMILESCC(N)=N/N=C(\C)c1ccc(NC(=O)c2cc3cccc(N)c3[nH]2)cc1
InChIInChI=1S/C19H20N6O/c1-11(24-25-12(2)20)13-6-8-15(9-7-13)22-19(26)17-10-14-4-3-5-16(21)18(14)23-17/h3-10,23H,21H2,1-2H3,(H2,20,25)(H,22,26)/b24-11+
InChIKeyNPGWACVKKUMODK-BHGWPJFGSA-N
MW348.41 g/mol
LogP3.10
Rot. Bonds4

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

7-amino-N-[4-[(E)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1H-indole-2-carboxamide (PubChem CID 172922337) has the molecular formula C19H20N6O and a molecular weight of 348.41 g/mol. Its IUPAC name is 7-amino-N-[4-[(E)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1H-indole-2-carboxamide.

Molecular Properties

Compound Name7-amino-N-[4-[(E)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1H-indole-2-carboxamide
PubChem CID172922337
Molecular FormulaC19H20N6O
Molecular Weight348.41 g/mol
Exact Mass348.17
IUPAC Name7-amino-N-[4-[(E)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1H-indole-2-carboxamide
SMILESCC(N)=N/N=C(\C)c1ccc(NC(=O)c2cc3cccc(N)c3[nH]2)cc1
InChIInChI=1S/C19H20N6O/c1-11(24-25-12(2)20)13-6-8-15(9-7-13)22-19(26)17-10-14-4-3-5-16(21)18(14)23-17/h3-10,23H,21H2,1-2H3,(H2,20,25)(H,22,26)/b24-11+
InChIKeyNPGWACVKKUMODK-BHGWPJFGSA-N
XLogP3.10
TPSA121.65 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.10
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'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

[2-[[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]carbamoyl]-1H-indol-7-yl]-iodosyl-oxoazanium
CID 177365095
N-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-7-nitroso-1H-indole-2-carboxamide
CID 89211992
7-amino-N-(4-methoxyphenyl)-1H-indole-2-carboxamide
CID 62057891
7-amino-N-(4-chlorophenyl)-1H-indole-2-carboxamide
CID 63117531
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
N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-6-methylsulfonyl-1H-indole-2-carboxamide
CID 91235599
6-acetamido-N-[4-[(E)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-methoxy-1H-indole-2-carboxamide
CID 172973075
7-amino-N-(3-fluoro-5-methylphenyl)-1H-indole-2-carboxamide
CID 79041127
N-[4-[(Z)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1-benzofuran-2-carboxamide
CID 91260047
N-[4-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-6-methyl-1H-indole-2-carboxamide
CID 123184653
N-[4-[(E)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-methoxy-7-nitroso-1H-indole-2-carboxamide
CID 89211804

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[4-[(E)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1H-indole-2-carboxamide?
The IUPAC name of 7-amino-N-[4-[(E)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1H-indole-2-carboxamide (CID 172922337) is 7-amino-N-[4-[(E)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1H-indole-2-carboxamide.
What is the SMILES notation for 7-amino-N-[4-[(E)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1H-indole-2-carboxamide?
The canonical SMILES for 7-amino-N-[4-[(E)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1H-indole-2-carboxamide is CC(N)=N/N=C(\C)c1ccc(NC(=O)c2cc3cccc(N)c3[nH]2)cc1.
What is the InChIKey of 7-amino-N-[4-[(E)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1H-indole-2-carboxamide?
The InChIKey is NPGWACVKKUMODK-BHGWPJFGSA-N. The full InChI is InChI=1S/C19H20N6O/c1-11(24-25-12(2)20)13-6-8-15(9-7-13)22-19(26)17-10-14-4-3-5-16(21)18(14)23-17/h3-10,23H,21H2,1-2H3,(H2,20,25)(H,22,26)/b24-11+.
What are the key properties of 7-amino-N-[4-[(E)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1H-indole-2-carboxamide?
7-amino-N-[4-[(E)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1H-indole-2-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.10, 4 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[4-[(E)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-1H-indole-2-carboxamide is sourced from PubChem (CID 172922337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).