N-[3-(cyclopropylamino)propyl]-1H-indole-4-carboxamide

C15H19N3O — CID 43596537

IUPACN-[3-(cyclopropylamino)propyl]-1H-indole-4-carboxamide
SMILESO=C(NCCCNC1CC1)c1cccc2[nH]ccc12
InChIInChI=1S/C15H19N3O/c19-15(18-9-2-8-16-11-5-6-11)13-3-1-4-14-12(13)7-10-17-14/h1,3-4,7,10-11,16-17H,2,5-6,8-9H2,(H,18,19)
InChIKeyCUYBTQPAROBHIH-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.04
Rot. Bonds6

About N-[3-(cyclopropylamino)propyl]-1H-indole-4-carboxamide

N-[3-(cyclopropylamino)propyl]-1H-indole-4-carboxamide (PubChem CID 43596537) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is N-[3-(cyclopropylamino)propyl]-1H-indole-4-carboxamide.

Molecular Properties

Compound NameN-[3-(cyclopropylamino)propyl]-1H-indole-4-carboxamide
PubChem CID43596537
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC NameN-[3-(cyclopropylamino)propyl]-1H-indole-4-carboxamide
SMILESO=C(NCCCNC1CC1)c1cccc2[nH]ccc12
InChIInChI=1S/C15H19N3O/c19-15(18-9-2-8-16-11-5-6-11)13-3-1-4-14-12(13)7-10-17-14/h1,3-4,7,10-11,16-17H,2,5-6,8-9H2,(H,18,19)
InChIKeyCUYBTQPAROBHIH-UHFFFAOYSA-N
XLogP2.04
TPSA56.92 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(cyclopropylmethoxy)propyl]-1H-indole-4-carboxamide
CID 43583021
N-[3-(cyclopropylamino)propyl]-2-iodobenzamide
CID 43596355
N-cyclopentyl-1H-indole-4-carboxamide
CID 43582325
methyl 4-(1H-indole-4-carbonylamino)butanoate
CID 60864608
N-(3-propan-2-yloxypropyl)-1H-indole-4-carboxamide
CID 60865335
N-[3-[methyl(propan-2-yl)amino]propyl]-1H-indole-4-carboxamide
CID 103721268
N-(4-carbamoylcyclohexyl)-1H-indole-4-carboxamide
CID 61043628
2-bromo-N-[3-(cyclopropylamino)propyl]-3-methylbenzamide
CID 107983057
1H-indole-4-carbohydrazide
CID 43316644
N-(2-prop-2-enylsulfanylethyl)-1H-indole-4-carboxamide
CID 75423925
N-[3-(cyclopropylamino)propyl]-1H-indazole-3-carboxamide
CID 43596560
N-[(2-methylcyclopentyl)methyl]-1H-indole-4-carboxamide
CID 107420261

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylamino)propyl]-1H-indole-4-carboxamide?
The IUPAC name of N-[3-(cyclopropylamino)propyl]-1H-indole-4-carboxamide (CID 43596537) is N-[3-(cyclopropylamino)propyl]-1H-indole-4-carboxamide.
What is the SMILES notation for N-[3-(cyclopropylamino)propyl]-1H-indole-4-carboxamide?
The canonical SMILES for N-[3-(cyclopropylamino)propyl]-1H-indole-4-carboxamide is O=C(NCCCNC1CC1)c1cccc2[nH]ccc12.
What is the InChIKey of N-[3-(cyclopropylamino)propyl]-1H-indole-4-carboxamide?
The InChIKey is CUYBTQPAROBHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c19-15(18-9-2-8-16-11-5-6-11)13-3-1-4-14-12(13)7-10-17-14/h1,3-4,7,10-11,16-17H,2,5-6,8-9H2,(H,18,19).
What are the key properties of N-[3-(cyclopropylamino)propyl]-1H-indole-4-carboxamide?
N-[3-(cyclopropylamino)propyl]-1H-indole-4-carboxamide has a molecular weight of 257.34 g/mol, XLogP of 2.04, 6 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylamino)propyl]-1H-indole-4-carboxamide is sourced from PubChem (CID 43596537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).