5-[(E)-N-[(Z)-[amino-(hydroxyamino)methylidene]amino]-C-methylcarbonimidoyl]-N-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide

C23H27N7O2 — CID 71555657

IUPAC5-[(E)-N-[(Z)-[amino-(hydroxyamino)methylidene]amino]-C-methylcarbonimidoyl]-N-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide
SMILESC/C(=N\N=C(\N)NO)c1ccc2[nH]c(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2c1
InChIInChI=1S/C23H27N7O2/c1-15(27-28-23(24)29-32)16-5-10-20-17(13-16)14-21(26-20)22(31)25-18-6-8-19(9-7-18)30-11-3-2-4-12-30/h5-10,13-14,26,32H,2-4,11-12H2,1H3,(H,25,31)(H3,24,28,29)/b27-15+
InChIKeyNWDPEPCOICKDDE-JFLMPSFJSA-N
MW433.52 g/mol
LogP3.43
Rot. Bonds5

About 5-[(E)-N-[(Z)-[amino-(hydroxyamino)methylidene]amino]-C-methylcarbonimidoyl]-N-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide

5-[(E)-N-[(Z)-[amino-(hydroxyamino)methylidene]amino]-C-methylcarbonimidoyl]-N-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide (PubChem CID 71555657) has the molecular formula C23H27N7O2 and a molecular weight of 433.52 g/mol. Its IUPAC name is 5-[(E)-N-[(Z)-[amino-(hydroxyamino)methylidene]amino]-C-methylcarbonimidoyl]-N-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide.

Molecular Properties

Compound Name5-[(E)-N-[(Z)-[amino-(hydroxyamino)methylidene]amino]-C-methylcarbonimidoyl]-N-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide
PubChem CID71555657
Molecular FormulaC23H27N7O2
Molecular Weight433.52 g/mol
Exact Mass433.22
IUPAC Name5-[(E)-N-[(Z)-[amino-(hydroxyamino)methylidene]amino]-C-methylcarbonimidoyl]-N-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide
SMILESC/C(=N\N=C(\N)NO)c1ccc2[nH]c(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2c1
InChIInChI=1S/C23H27N7O2/c1-15(27-28-23(24)29-32)16-5-10-20-17(13-16)14-21(26-20)22(31)25-18-6-8-19(9-7-18)30-11-3-2-4-12-30/h5-10,13-14,26,32H,2-4,11-12H2,1H3,(H,25,31)(H3,24,28,29)/b27-15+
InChIKeyNWDPEPCOICKDDE-JFLMPSFJSA-N
XLogP3.43
TPSA131.13 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.52
LogP ≤ 53.43
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', '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

5-[(E)-N-[[amino-(hydroxyamino)methylidene]amino]-C-methylcarbonimidoyl]-N-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide
CID 123565010
N-(4-acetylphenyl)-5-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-1H-indole-2-carboxamide
CID 123401277
5-[N-(diaminomethylideneamino)-C-methylcarbonimidoyl]-N-(4-imidazol-1-ylphenyl)-1H-indole-2-carboxamide
CID 76562322
N-[4-[(Z)-N-(diaminomethylideneamino)-C-methylcarbonimidoyl]phenyl]-6-methyl-1H-indole-2-carboxamide
CID 123184653
N-[4-(4-carbamoylpiperidin-1-yl)phenyl]-6-methyl-1H-indole-2-carboxamide
CID 51129960
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
6-acetamido-N-[4-[(E)-N-(1-aminoethylideneamino)-C-methylcarbonimidoyl]phenyl]-5-methoxy-1H-indole-2-carboxamide
CID 172973075
1-N-(4-methylphenyl)-4-N-(4-pyrrolidin-1-ylphenyl)benzene-1,4-dicarboxamide
CID 109049443
N-(4-carbamoylphenyl)-5-fluoro-1H-indole-2-carboxamide
CID 46557885
N-(4-acetylphenyl)-5-methyl-1H-indole-2-carboxamide
CID 110861116
5-[(4-acetylbenzoyl)amino]-1H-indole-2-carboxylic acid
CID 59365027
2,5-dimethyl-N-(4-pyrrolidin-1-ylphenyl)-1H-pyrrole-3-carboxamide
CID 110766236

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-N-[(Z)-[amino-(hydroxyamino)methylidene]amino]-C-methylcarbonimidoyl]-N-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide?
The IUPAC name of 5-[(E)-N-[(Z)-[amino-(hydroxyamino)methylidene]amino]-C-methylcarbonimidoyl]-N-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide (CID 71555657) is 5-[(E)-N-[(Z)-[amino-(hydroxyamino)methylidene]amino]-C-methylcarbonimidoyl]-N-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide.
What is the SMILES notation for 5-[(E)-N-[(Z)-[amino-(hydroxyamino)methylidene]amino]-C-methylcarbonimidoyl]-N-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide?
The canonical SMILES for 5-[(E)-N-[(Z)-[amino-(hydroxyamino)methylidene]amino]-C-methylcarbonimidoyl]-N-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide is C/C(=N\N=C(\N)NO)c1ccc2[nH]c(C(=O)Nc3ccc(N4CCCCC4)cc3)cc2c1.
What is the InChIKey of 5-[(E)-N-[(Z)-[amino-(hydroxyamino)methylidene]amino]-C-methylcarbonimidoyl]-N-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide?
The InChIKey is NWDPEPCOICKDDE-JFLMPSFJSA-N. The full InChI is InChI=1S/C23H27N7O2/c1-15(27-28-23(24)29-32)16-5-10-20-17(13-16)14-21(26-20)22(31)25-18-6-8-19(9-7-18)30-11-3-2-4-12-30/h5-10,13-14,26,32H,2-4,11-12H2,1H3,(H,25,31)(H3,24,28,29)/b27-15+.
What are the key properties of 5-[(E)-N-[(Z)-[amino-(hydroxyamino)methylidene]amino]-C-methylcarbonimidoyl]-N-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide?
5-[(E)-N-[(Z)-[amino-(hydroxyamino)methylidene]amino]-C-methylcarbonimidoyl]-N-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide has a molecular weight of 433.52 g/mol, XLogP of 3.43, 5 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-N-[(Z)-[amino-(hydroxyamino)methylidene]amino]-C-methylcarbonimidoyl]-N-(4-piperidin-1-ylphenyl)-1H-indole-2-carboxamide is sourced from PubChem (CID 71555657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).