N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide

C17H16N4O3 — CID 6372429

IUPACN-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C\c1cn(CC(N)=O)c2ccccc12
InChIInChI=1S/C17H16N4O3/c1-11-13(6-7-24-11)17(23)20-19-8-12-9-21(10-16(18)22)15-5-3-2-4-14(12)15/h2-9H,10H2,1H3,(H2,18,22)(H,20,23)/b19-8-
InChIKeyPKJGPJCJEMMPOF-UWVJOHFNSA-N
MW324.34 g/mol
LogP1.79
Rot. Bonds5

About N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide

N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide (PubChem CID 6372429) has the molecular formula C17H16N4O3 and a molecular weight of 324.34 g/mol. Its IUPAC name is N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide
PubChem CID6372429
Molecular FormulaC17H16N4O3
Molecular Weight324.34 g/mol
Exact Mass324.12
IUPAC NameN-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide
SMILESCc1occc1C(=O)N/N=C\c1cn(CC(N)=O)c2ccccc12
InChIInChI=1S/C17H16N4O3/c1-11-13(6-7-24-11)17(23)20-19-8-12-9-21(10-16(18)22)15-5-3-2-4-14(12)15/h2-9H,10H2,1H3,(H2,18,22)(H,20,23)/b19-8-
InChIKeyPKJGPJCJEMMPOF-UWVJOHFNSA-N
XLogP1.79
TPSA102.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]benzamide
CID 3879829
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-4-methylbenzamide
CID 3999829
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-3-hydroxybenzamide
CID 5035642
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-[(2-fluorobenzoyl)amino]benzamide
CID 3251121
2-methyl-N-[(Z)-naphthalen-1-ylmethylideneamino]furan-3-carboxamide
CID 5402054
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-1-benzofuran-2-carboxamide
CID 3919047
2-amino-N-[(Z)-(1-ethylindol-3-yl)methylideneamino]benzamide
CID 110512121
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-7-methoxy-1-benzofuran-2-carboxamide
CID 3342706
2-methyl-N-[(E)-(1-prop-2-enylindol-3-yl)methylideneamino]benzamide
CID 19060951
N-[(Z)-(2-fluorophenyl)methylideneamino]-2-methylfuran-3-carboxamide
CID 5402053
[(Z)-(1-ethylindol-3-yl)methylideneamino]urea
CID 71670103
N-[[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-(2-methoxyanilino)propanamide
CID 71947279

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide?
The IUPAC name of N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide (CID 6372429) is N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide.
What is the SMILES notation for N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide?
The canonical SMILES for N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide is Cc1occc1C(=O)N/N=C\c1cn(CC(N)=O)c2ccccc12.
What is the InChIKey of N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide?
The InChIKey is PKJGPJCJEMMPOF-UWVJOHFNSA-N. The full InChI is InChI=1S/C17H16N4O3/c1-11-13(6-7-24-11)17(23)20-19-8-12-9-21(10-16(18)22)15-5-3-2-4-14(12)15/h2-9H,10H2,1H3,(H2,18,22)(H,20,23)/b19-8-.
What are the key properties of N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide?
N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide has a molecular weight of 324.34 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[1-(2-amino-2-oxoethyl)indol-3-yl]methylideneamino]-2-methylfuran-3-carboxamide is sourced from PubChem (CID 6372429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).