5-amino-N-pent-4-enyl-1H-indole-3-carboxamide

C14H17N3O — CID 114264539

IUPAC5-amino-N-pent-4-enyl-1H-indole-3-carboxamide
SMILESC=CCCCNC(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C14H17N3O/c1-2-3-4-7-16-14(18)12-9-17-13-6-5-10(15)8-11(12)13/h2,5-6,8-9,17H,1,3-4,7,15H2,(H,16,18)
InChIKeySFWXKZYATQTZPN-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.45
Rot. Bonds5

About 5-amino-N-pent-4-enyl-1H-indole-3-carboxamide

5-amino-N-pent-4-enyl-1H-indole-3-carboxamide (PubChem CID 114264539) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 5-amino-N-pent-4-enyl-1H-indole-3-carboxamide.

Molecular Properties

Compound Name5-amino-N-pent-4-enyl-1H-indole-3-carboxamide
PubChem CID114264539
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name5-amino-N-pent-4-enyl-1H-indole-3-carboxamide
SMILESC=CCCCNC(=O)c1c[nH]c2ccc(N)cc12
InChIInChI=1S/C14H17N3O/c1-2-3-4-7-16-14(18)12-9-17-13-6-5-10(15)8-11(12)13/h2,5-6,8-9,17H,1,3-4,7,15H2,(H,16,18)
InChIKeySFWXKZYATQTZPN-UHFFFAOYSA-N
XLogP2.45
TPSA70.91 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

5-amino-N-(5-hydroxypentyl)-1H-indole-3-carboxamide
CID 107316240
ethyl 4-[(5-amino-1H-indole-3-carbonyl)amino]butanoate
CID 64581541
5-amino-N-[2-(cyclohexen-1-yl)ethyl]-1H-indole-3-carboxamide
CID 63116817
5-amino-N-[2-oxo-2-(propylamino)ethyl]-1H-indole-3-carboxamide
CID 63116906
5-amino-N-[2-(3-methylbutoxy)ethyl]-1H-indole-3-carboxamide
CID 63117353
6-amino-N-(3-methoxypropyl)-1H-indole-3-carboxamide
CID 61095149
5-amino-N-[(2-methylcyclopentyl)methyl]-1H-indole-3-carboxamide
CID 107416305
5-amino-N-(2-hydroxy-4,4-dimethylpentyl)-1H-indole-3-carboxamide
CID 107150492
5-amino-N-phenyl-1H-indole-3-carboxamide
CID 63116510
6-amino-N-(3-pyrrolidin-1-ylpropyl)-1H-indole-3-carboxamide
CID 61117894
5-amino-1H-indole-3-carboxylate
CID 36690512
5-amino-N-pyrimidin-2-yl-1H-indole-3-carboxamide
CID 63117023

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-pent-4-enyl-1H-indole-3-carboxamide?
The IUPAC name of 5-amino-N-pent-4-enyl-1H-indole-3-carboxamide (CID 114264539) is 5-amino-N-pent-4-enyl-1H-indole-3-carboxamide.
What is the SMILES notation for 5-amino-N-pent-4-enyl-1H-indole-3-carboxamide?
The canonical SMILES for 5-amino-N-pent-4-enyl-1H-indole-3-carboxamide is C=CCCCNC(=O)c1c[nH]c2ccc(N)cc12.
What is the InChIKey of 5-amino-N-pent-4-enyl-1H-indole-3-carboxamide?
The InChIKey is SFWXKZYATQTZPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-2-3-4-7-16-14(18)12-9-17-13-6-5-10(15)8-11(12)13/h2,5-6,8-9,17H,1,3-4,7,15H2,(H,16,18).
What are the key properties of 5-amino-N-pent-4-enyl-1H-indole-3-carboxamide?
5-amino-N-pent-4-enyl-1H-indole-3-carboxamide has a molecular weight of 243.31 g/mol, XLogP of 2.45, 5 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-pent-4-enyl-1H-indole-3-carboxamide is sourced from PubChem (CID 114264539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).