N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1H-indole-3-carboxamide;hydrochloride

C17H20ClN5O2 — CID 169442420

IUPACN-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1H-indole-3-carboxamide;hydrochloride
SMILESCl.O=C(CNC(=O)c1c[nH]c2ccccc12)NCCCn1ccnc1
InChIInChI=1S/C17H19N5O2.ClH/c23-16(19-6-3-8-22-9-7-18-12-22)11-21-17(24)14-10-20-15-5-2-1-4-13(14)15;/h1-2,4-5,7,9-10,12,20H,3,6,8,11H2,(H,19,23)(H,21,24);1H
InChIKeyGFDZZOFGFAWGPD-UHFFFAOYSA-N
MW361.83 g/mol
LogP1.72
Rot. Bonds7

About N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1H-indole-3-carboxamide;hydrochloride

N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1H-indole-3-carboxamide;hydrochloride (PubChem CID 169442420) has the molecular formula C17H20ClN5O2 and a molecular weight of 361.83 g/mol. Its IUPAC name is N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1H-indole-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1H-indole-3-carboxamide;hydrochloride
PubChem CID169442420
Molecular FormulaC17H20ClN5O2
Molecular Weight361.83 g/mol
Exact Mass361.13
IUPAC NameN-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1H-indole-3-carboxamide;hydrochloride
SMILESCl.O=C(CNC(=O)c1c[nH]c2ccccc12)NCCCn1ccnc1
InChIInChI=1S/C17H19N5O2.ClH/c23-16(19-6-3-8-22-9-7-18-12-22)11-21-17(24)14-10-20-15-5-2-1-4-13(14)15;/h1-2,4-5,7,9-10,12,20H,3,6,8,11H2,(H,19,23)(H,21,24);1H
InChIKeyGFDZZOFGFAWGPD-UHFFFAOYSA-N
XLogP1.72
TPSA91.81 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.83
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-imidazol-1-ylpropyl)-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 110474998
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CID 110443115
N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-2-naphthalen-1-ylacetamide
CID 51162140
N-(2-imidazol-1-ylethyl)-1-oxo-2H-isoquinoline-4-carboxamide
CID 110205681
N-(3-imidazol-1-ylpropyl)-2-(4-phenylphenyl)acetamide
CID 35513194
N-(3-imidazol-1-ylpropyl)-1-(1H-indol-3-ylmethyl)-5-oxopyrrolidine-2-carboxamide
CID 91955799
N-(3-imidazol-1-ylpropyl)-2-pyridin-2-ylacetamide
CID 110468194
2,3-difluoro-N-(3-imidazol-1-ylpropyl)benzamide
CID 62649023
[4-(2-imidazol-1-ylethyl)-1,4-diazepan-1-yl]-(1H-indol-3-yl)methanone
CID 137340536
2-(dimethylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 110463562
N-(3-imidazol-1-ylpropyl)-1H-indole-7-carboxamide
CID 22139224
2-(2,2-dimethylpropanoylamino)-N-(3-imidazol-1-ylpropyl)benzamide
CID 2929720

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1H-indole-3-carboxamide;hydrochloride?
The IUPAC name of N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1H-indole-3-carboxamide;hydrochloride (CID 169442420) is N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1H-indole-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1H-indole-3-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1H-indole-3-carboxamide;hydrochloride is Cl.O=C(CNC(=O)c1c[nH]c2ccccc12)NCCCn1ccnc1.
What is the InChIKey of N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1H-indole-3-carboxamide;hydrochloride?
The InChIKey is GFDZZOFGFAWGPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2.ClH/c23-16(19-6-3-8-22-9-7-18-12-22)11-21-17(24)14-10-20-15-5-2-1-4-13(14)15;/h1-2,4-5,7,9-10,12,20H,3,6,8,11H2,(H,19,23)(H,21,24);1H.
What are the key properties of N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1H-indole-3-carboxamide;hydrochloride?
N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1H-indole-3-carboxamide;hydrochloride has a molecular weight of 361.83 g/mol, XLogP of 1.72, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-imidazol-1-ylpropylamino)-2-oxoethyl]-1H-indole-3-carboxamide;hydrochloride is sourced from PubChem (CID 169442420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).