N-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide

C19H22N4O — CID 41277786

IUPACN-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide
SMILESCCN(CCCNC(=O)c1n[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C19H22N4O/c1-2-23(15-9-4-3-5-10-15)14-8-13-20-19(24)18-16-11-6-7-12-17(16)21-22-18/h3-7,9-12H,2,8,13-14H2,1H3,(H,20,24)(H,21,22)
InChIKeyJZHMPVXMEIOHPJ-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.21
Rot. Bonds7

About N-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide

N-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide (PubChem CID 41277786) has the molecular formula C19H22N4O and a molecular weight of 322.41 g/mol. Its IUPAC name is N-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide
PubChem CID41277786
Molecular FormulaC19H22N4O
Molecular Weight322.41 g/mol
Exact Mass322.18
IUPAC NameN-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide
SMILESCCN(CCCNC(=O)c1n[nH]c2ccccc12)c1ccccc1
InChIInChI=1S/C19H22N4O/c1-2-23(15-9-4-3-5-10-15)14-8-13-20-19(24)18-16-11-6-7-12-17(16)21-22-18/h3-7,9-12H,2,8,13-14H2,1H3,(H,20,24)(H,21,22)
InChIKeyJZHMPVXMEIOHPJ-UHFFFAOYSA-N
XLogP3.21
TPSA61.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[benzyl(methyl)amino]propyl]-1H-indazole-3-carboxamide
CID 41277760
N-[3-(diethylamino)-3-oxopropyl]-1H-indazole-3-carboxamide
CID 61149810
N-(4-aminobutyl)-1H-indazole-3-carboxamide
CID 64982743
N-[3-(N-ethylanilino)propyl]-2-(1H-indol-3-yl)-2-oxoacetamide
CID 7087100
N-[2-[3-(N-ethylanilino)propylamino]-2-oxoethyl]benzamide
CID 41278360
ethyl 4-(1H-indazole-3-carbonylamino)butanoate
CID 60637293
N-[3-(N-ethylanilino)propyl]-1-methyl-4-oxo-5H-pyrrolo[3,2-c]quinoline-2-carboxamide
CID 20857417
3-(N-ethylanilino)propylurea
CID 112708177
N-[3-(N-ethylanilino)propyl]quinoline-5-carboxamide
CID 26035305
2-ethyl-2-[(1H-indazole-3-carbonylamino)methyl]butanoic acid
CID 115429770
methyl N-[3-(N-ethylanilino)propyl]carbamate
CID 22765561
N-(2-phenoxyethyl)-1H-indazole-3-carboxamide
CID 27758329

Frequently Asked Questions

What is the IUPAC name of N-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide (CID 41277786) is N-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide is CCN(CCCNC(=O)c1n[nH]c2ccccc12)c1ccccc1.
What is the InChIKey of N-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide?
The InChIKey is JZHMPVXMEIOHPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O/c1-2-23(15-9-4-3-5-10-15)14-8-13-20-19(24)18-16-11-6-7-12-17(16)21-22-18/h3-7,9-12H,2,8,13-14H2,1H3,(H,20,24)(H,21,22).
What are the key properties of N-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide?
N-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 3.21, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(N-ethylanilino)propyl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 41277786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).