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

C20H23N5O2 — CID 119440855

IUPACN-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCCNCc1ccccc1NC(=O)C(C)NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C20H23N5O2/c1-3-21-12-14-8-4-6-10-16(14)23-19(26)13(2)22-20(27)18-15-9-5-7-11-17(15)24-25-18/h4-11,13,21H,3,12H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)
InChIKeyOMSSZRCXXWURGH-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.43
Rot. Bonds7

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

N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (PubChem CID 119440855) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
PubChem CID119440855
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
SMILESCCNCc1ccccc1NC(=O)C(C)NC(=O)c1n[nH]c2ccccc12
InChIInChI=1S/C20H23N5O2/c1-3-21-12-14-8-4-6-10-16(14)23-19(26)13(2)22-20(27)18-15-9-5-7-11-17(15)24-25-18/h4-11,13,21H,3,12H2,1-2H3,(H,22,27)(H,23,26)(H,24,25)
InChIKeyOMSSZRCXXWURGH-UHFFFAOYSA-N
XLogP2.43
TPSA98.91 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.43
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-[2-(ethylamino)ethylamino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 119509484
N-[1-(2-methylsulfanylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858626
N-[1-(3,5-dimethylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858477
N-[1-(4-carbamoylanilino)-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 170858589
N-(3-ethylpentan-2-yl)-1H-indazole-3-carboxamide
CID 63851037
4-chloro-N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]benzamide
CID 119440668
N-(1-ethoxyethyl)-1H-indazole-3-carboxamide
CID 57149113
N-[1-[(4-cyano-5-methyl-1H-pyrazol-3-yl)amino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide
CID 154794888
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-[[4-(2-methylpropanoylamino)phenyl]methyl]-1H-indazole-3-carboxamide
CID 51332998
N-[(2R)-1-hydroxybutan-2-yl]-1H-indazole-3-carboxamide
CID 103920152

Frequently Asked Questions

What is the IUPAC name of N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The IUPAC name of N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide (CID 119440855) is N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide.
What is the SMILES notation for N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The canonical SMILES for N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is CCNCc1ccccc1NC(=O)C(C)NC(=O)c1n[nH]c2ccccc12.
What is the InChIKey of N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
The InChIKey is OMSSZRCXXWURGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-3-21-12-14-8-4-6-10-16(14)23-19(26)13(2)22-20(27)18-15-9-5-7-11-17(15)24-25-18/h4-11,13,21H,3,12H2,1-2H3,(H,22,27)(H,23,26)(H,24,25).
What are the key properties of N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide?
N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.43, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[2-(ethylaminomethyl)anilino]-1-oxopropan-2-yl]-1H-indazole-3-carboxamide is sourced from PubChem (CID 119440855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).