N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

C15H21N5O2 — CID 119509484

IUPACN-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCCNCCNC(=O)C(C)NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C15H21N5O2/c1-3-16-8-9-17-14(21)10(2)18-15(22)13-11-6-4-5-7-12(11)19-20-13/h4-7,10,16H,3,8-9H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyWLAJABWEIDBJOB-UHFFFAOYSA-N
MW303.37 g/mol
LogP0.41
Rot. Bonds7

About N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide

N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 119509484) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
PubChem CID119509484
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC NameN-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCCNCCNC(=O)C(C)NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C15H21N5O2/c1-3-16-8-9-17-14(21)10(2)18-15(22)13-11-6-4-5-7-12(11)19-20-13/h4-7,10,16H,3,8-9H2,1-2H3,(H,17,21)(H,18,22)(H,19,20)
InChIKeyWLAJABWEIDBJOB-UHFFFAOYSA-N
XLogP0.41
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 50.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 119440855
N-[1-[2-[(3,4-dichlorobenzoyl)amino]ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 86887302
N-[1-[2-(4-methoxyphenyl)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858711
ethyl (3R)-4-[[(2S)-2-(1H-indazole-3-carbonylamino)propanoyl]amino]-3-methylbutanoate
CID 97247416
N-[1-(cyclohexylmethylamino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858431
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858477
N-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858626
N-(2-methylpropyl)-1H-indazole-3-carboxamide
CID 42477800
N-(1-ethoxyethyl)-1H-indazole-3-carboxamide
CID 57149113
N-[1-[(3-bromo-4-methoxyphenyl)methylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 86887344
N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide
CID 103920152

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (CID 119509484) is N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is CCNCCNC(=O)C(C)NC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is WLAJABWEIDBJOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-3-16-8-9-17-14(21)10(2)18-15(22)13-11-6-4-5-7-12(11)19-20-13/h4-7,10,16H,3,8-9H2,1-2H3,(H,17,21)(H,18,22)(H,19,20).
What are the key properties of N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 303.37 g/mol, XLogP of 0.41, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 119509484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).