acetic acid;4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]benzamide

C21H19N5O3 — CID 24760315

IUPACacetic acid;4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]benzamide
SMILESCC(=O)O.NC(=O)c1ccc(Nc2cncc(-c3cc4ccccc4[nH]3)n2)cc1
InChIInChI=1S/C19H15N5O.C2H4O2/c20-19(25)12-5-7-14(8-6-12)22-18-11-21-10-17(24-18)16-9-13-3-1-2-4-15(13)23-16;1-2(3)4/h1-11,23H,(H2,20,25)(H,22,24);1H3,(H,3,4)
InChIKeyFVKBASVXAYEXPY-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.56
Rot. Bonds4

About acetic acid;4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]benzamide

acetic acid;4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]benzamide (PubChem CID 24760315) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is acetic acid;4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]benzamide.

Molecular Properties

Compound Nameacetic acid;4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]benzamide
PubChem CID24760315
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC Nameacetic acid;4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]benzamide
SMILESCC(=O)O.NC(=O)c1ccc(Nc2cncc(-c3cc4ccccc4[nH]3)n2)cc1
InChIInChI=1S/C19H15N5O.C2H4O2/c20-19(25)12-5-7-14(8-6-12)22-18-11-21-10-17(24-18)16-9-13-3-1-2-4-15(13)23-16;1-2(3)4/h1-11,23H,(H2,20,25)(H,22,24);1H3,(H,3,4)
InChIKeyFVKBASVXAYEXPY-UHFFFAOYSA-N
XLogP3.56
TPSA133.99 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.56
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Related Compounds

2-[6-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrazin-2-yl]-1H-indole-5-carboxamide
CID 24760460
(4R)-4-(dimethylamino)-2-imino-1-[4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]phenyl]pentan-1-one
CID 174568979
6-(4-carbamoylanilino)pyrazine-2-carboxylic acid
CID 66458122
[6-(1H-indol-2-yl)pyrazin-2-yl] benzoate
CID 174583893
N-[3-(dimethylamino)propyl]-4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]-3-methoxybenzamide
CID 24760535
4-[6-(3,4,5-trimethoxyanilino)pyrazin-2-yl]benzamide
CID 11696578
3-(1H-indol-2-yl)-5-(methylamino)pyrazine-2-carboxamide
CID 123176707
2-phenyl-1H-indole-6-carboxamide
CID 69443786
4-[6-(ethylamino)pyrazin-2-yl]benzamide
CID 6482688
ethyl 4-[(5-anilino-1,2,4-triazin-3-yl)amino]benzoate
CID 112961606
4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide;N-methyl-4-[[6-(2-methylbenzimidazol-1-yl)pyrazin-2-yl]amino]benzamide
CID 146432635
4-(1H-indol-2-yl)-N-methylaniline
CID 116995134

Frequently Asked Questions

What is the IUPAC name of acetic acid;4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]benzamide?
The IUPAC name of acetic acid;4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]benzamide (CID 24760315) is acetic acid;4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]benzamide.
What is the SMILES notation for acetic acid;4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]benzamide?
The canonical SMILES for acetic acid;4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]benzamide is CC(=O)O.NC(=O)c1ccc(Nc2cncc(-c3cc4ccccc4[nH]3)n2)cc1.
What is the InChIKey of acetic acid;4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]benzamide?
The InChIKey is FVKBASVXAYEXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O.C2H4O2/c20-19(25)12-5-7-14(8-6-12)22-18-11-21-10-17(24-18)16-9-13-3-1-2-4-15(13)23-16;1-2(3)4/h1-11,23H,(H2,20,25)(H,22,24);1H3,(H,3,4).
What are the key properties of acetic acid;4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]benzamide?
acetic acid;4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]benzamide has a molecular weight of 389.42 g/mol, XLogP of 3.56, 4 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;4-[[6-(1H-indol-2-yl)pyrazin-2-yl]amino]benzamide is sourced from PubChem (CID 24760315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).