N-[(4-cyanophenyl)methylideneamino]-3-propan-2-yloxy-1H-indole-2-carboxamide

C20H18N4O2 — CID 70131737

IUPACN-[(4-cyanophenyl)methylideneamino]-3-propan-2-yloxy-1H-indole-2-carboxamide
SMILESCC(C)Oc1c(C(=O)NN=Cc2ccc(C#N)cc2)[nH]c2ccccc12
InChIInChI=1S/C20H18N4O2/c1-13(2)26-19-16-5-3-4-6-17(16)23-18(19)20(25)24-22-12-15-9-7-14(11-21)8-10-15/h3-10,12-13,23H,1-2H3,(H,24,25)
InChIKeyCLUJEQZHBHMEBX-UHFFFAOYSA-N
MW346.39 g/mol
LogP3.59
Rot. Bonds5

About N-[(4-cyanophenyl)methylideneamino]-3-propan-2-yloxy-1H-indole-2-carboxamide

N-[(4-cyanophenyl)methylideneamino]-3-propan-2-yloxy-1H-indole-2-carboxamide (PubChem CID 70131737) has the molecular formula C20H18N4O2 and a molecular weight of 346.39 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methylideneamino]-3-propan-2-yloxy-1H-indole-2-carboxamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methylideneamino]-3-propan-2-yloxy-1H-indole-2-carboxamide
PubChem CID70131737
Molecular FormulaC20H18N4O2
Molecular Weight346.39 g/mol
Exact Mass346.14
IUPAC NameN-[(4-cyanophenyl)methylideneamino]-3-propan-2-yloxy-1H-indole-2-carboxamide
SMILESCC(C)Oc1c(C(=O)NN=Cc2ccc(C#N)cc2)[nH]c2ccccc12
InChIInChI=1S/C20H18N4O2/c1-13(2)26-19-16-5-3-4-6-17(16)23-18(19)20(25)24-22-12-15-9-7-14(11-21)8-10-15/h3-10,12-13,23H,1-2H3,(H,24,25)
InChIKeyCLUJEQZHBHMEBX-UHFFFAOYSA-N
XLogP3.59
TPSA90.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-(4-bromophenyl)methylideneamino]-3-propan-2-yl-1H-indole-2-carboxamide
CID 10200017
5-bromo-N-[(E)-(4-cyanophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 10203805
N-[(4-bromophenyl)methylideneamino]-3-methyl-1H-indole-2-carboxamide
CID 70129332
3-amino-N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide
CID 14983896
methyl N-[(4-cyanophenyl)methylideneamino]carbamate
CID 833047
N-[(E)-(4-chlorophenyl)methylideneamino]-3-[(4-chlorophenyl)methylideneamino]-1H-indole-2-carboxamide
CID 14983889
N-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-[[4-(dimethylamino)phenyl]methylideneamino]-1H-indole-2-carboxamide
CID 14983883
N-[(4-cyanophenyl)methylideneamino]-4-phenylbenzamide
CID 681341
N-[(4-iodophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 70159294
N-[(E)-(4-bromophenyl)methylideneamino]-3-phenyl-1H-indole-2-carboxamide
CID 10273493
4-[[2-[[(E)-(4-carboxyphenyl)methylideneamino]carbamoyl]-1H-indol-3-yl]iminomethyl]benzoic acid
CID 14983887
2-N-[(E)-(4-chlorophenyl)methylideneamino]-3-N-phenyl-1H-indole-2,3-dicarboxamide
CID 10136695

Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methylideneamino]-3-propan-2-yloxy-1H-indole-2-carboxamide?
The IUPAC name of N-[(4-cyanophenyl)methylideneamino]-3-propan-2-yloxy-1H-indole-2-carboxamide (CID 70131737) is N-[(4-cyanophenyl)methylideneamino]-3-propan-2-yloxy-1H-indole-2-carboxamide.
What is the SMILES notation for N-[(4-cyanophenyl)methylideneamino]-3-propan-2-yloxy-1H-indole-2-carboxamide?
The canonical SMILES for N-[(4-cyanophenyl)methylideneamino]-3-propan-2-yloxy-1H-indole-2-carboxamide is CC(C)Oc1c(C(=O)NN=Cc2ccc(C#N)cc2)[nH]c2ccccc12.
What is the InChIKey of N-[(4-cyanophenyl)methylideneamino]-3-propan-2-yloxy-1H-indole-2-carboxamide?
The InChIKey is CLUJEQZHBHMEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O2/c1-13(2)26-19-16-5-3-4-6-17(16)23-18(19)20(25)24-22-12-15-9-7-14(11-21)8-10-15/h3-10,12-13,23H,1-2H3,(H,24,25).
What are the key properties of N-[(4-cyanophenyl)methylideneamino]-3-propan-2-yloxy-1H-indole-2-carboxamide?
N-[(4-cyanophenyl)methylideneamino]-3-propan-2-yloxy-1H-indole-2-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 3.59, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methylideneamino]-3-propan-2-yloxy-1H-indole-2-carboxamide is sourced from PubChem (CID 70131737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).