N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide

C16H21N3O — CID 5146585

IUPACN-(heptan-4-ylideneamino)-1H-indole-3-carboxamide
SMILESCCCC(CCC)=NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H21N3O/c1-3-7-12(8-4-2)18-19-16(20)14-11-17-15-10-6-5-9-13(14)15/h5-6,9-11,17H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyNTKOFFJIWSVOFP-UHFFFAOYSA-N
MW271.36 g/mol
LogP3.85
Rot. Bonds6

About N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide

N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide (PubChem CID 5146585) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide.

Molecular Properties

Compound NameN-(heptan-4-ylideneamino)-1H-indole-3-carboxamide
PubChem CID5146585
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN-(heptan-4-ylideneamino)-1H-indole-3-carboxamide
SMILESCCCC(CCC)=NNC(=O)c1c[nH]c2ccccc12
InChIInChI=1S/C16H21N3O/c1-3-7-12(8-4-2)18-19-16(20)14-11-17-15-10-6-5-9-13(14)15/h5-6,9-11,17H,3-4,7-8H2,1-2H3,(H,19,20)
InChIKeyNTKOFFJIWSVOFP-UHFFFAOYSA-N
XLogP3.85
TPSA57.25 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(propan-2-ylideneamino)-1H-indole-3-carboxamide
CID 3706712
N-[1-(4-chlorophenyl)propylideneamino]-1H-indole-3-carboxamide
CID 5011470
(4Z)-4-(1H-indole-3-carbonylhydrazinylidene)-4-phenylbutanoic acid
CID 5342175
N-[1-(4-ethylphenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3447704
N-[(Z)-1-(3-bromophenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 6242879
N-(N'-ethylcarbamimidoyl)-1H-indole-3-carboxamide;hydrochloride
CID 67661934
N-[1-(4-fluorophenyl)ethylideneamino]-1H-indole-3-carboxamide
CID 3109037
N-[(4-propylcyclohexylidene)amino]-1H-indole-3-carboxamide
CID 5142375
N'-pentanoyl-1H-indole-3-carbohydrazide
CID 134008164
2-hydroxy-N-[(Z)-1-(1H-indol-3-yl)ethylideneamino]benzamide
CID 136801988
(NE)-N-[1-(1H-indol-3-yl)butylidene]hydroxylamine
CID 135449264
N-[(E)-1-(furan-2-yl)ethylideneamino]-1H-indole-3-carboxamide
CID 5340769

Frequently Asked Questions

What is the IUPAC name of N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide?
The IUPAC name of N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide (CID 5146585) is N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide.
What is the SMILES notation for N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide?
The canonical SMILES for N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide is CCCC(CCC)=NNC(=O)c1c[nH]c2ccccc12.
What is the InChIKey of N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide?
The InChIKey is NTKOFFJIWSVOFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-3-7-12(8-4-2)18-19-16(20)14-11-17-15-10-6-5-9-13(14)15/h5-6,9-11,17H,3-4,7-8H2,1-2H3,(H,19,20).
What are the key properties of N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide?
N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide has a molecular weight of 271.36 g/mol, XLogP of 3.85, 6 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(heptan-4-ylideneamino)-1H-indole-3-carboxamide is sourced from PubChem (CID 5146585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).