5-(1H-indol-6-yl)-3-(3-methoxyanilino)pyrazine-2-carboxamide

C20H17N5O2 — CID 176780901

IUPAC5-(1H-indol-6-yl)-3-(3-methoxyanilino)pyrazine-2-carboxamide
SMILESCOc1cccc(Nc2nc(-c3ccc4cc[nH]c4c3)cnc2C(N)=O)c1
InChIInChI=1S/C20H17N5O2/c1-27-15-4-2-3-14(10-15)24-20-18(19(21)26)23-11-17(25-20)13-6-5-12-7-8-22-16(12)9-13/h2-11,22H,1H3,(H2,21,26)(H,24,25)
InChIKeyFQFIZOHUTWRZMJ-UHFFFAOYSA-N
MW359.39 g/mol
LogP3.48
Rot. Bonds5

About 5-(1H-indol-6-yl)-3-(3-methoxyanilino)pyrazine-2-carboxamide

5-(1H-indol-6-yl)-3-(3-methoxyanilino)pyrazine-2-carboxamide (PubChem CID 176780901) has the molecular formula C20H17N5O2 and a molecular weight of 359.39 g/mol. Its IUPAC name is 5-(1H-indol-6-yl)-3-(3-methoxyanilino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-(1H-indol-6-yl)-3-(3-methoxyanilino)pyrazine-2-carboxamide
PubChem CID176780901
Molecular FormulaC20H17N5O2
Molecular Weight359.39 g/mol
Exact Mass359.14
IUPAC Name5-(1H-indol-6-yl)-3-(3-methoxyanilino)pyrazine-2-carboxamide
SMILESCOc1cccc(Nc2nc(-c3ccc4cc[nH]c4c3)cnc2C(N)=O)c1
InChIInChI=1S/C20H17N5O2/c1-27-15-4-2-3-14(10-15)24-20-18(19(21)26)23-11-17(25-20)13-6-5-12-7-8-22-16(12)9-13/h2-11,22H,1H3,(H2,21,26)(H,24,25)
InChIKeyFQFIZOHUTWRZMJ-UHFFFAOYSA-N
XLogP3.48
TPSA105.92 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 53.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(3-methoxyanilino)-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 59587579
6-(1H-indazol-6-yl)-N-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 59473155
6-(3-chloro-4-methylphenyl)-3-[3-[3-(dimethylamino)propoxy]anilino]pyrazine-2-carboxamide
CID 71598484
4-(3-methoxyanilino)-2-(3,4,5-trimethoxyanilino)pyrimidine-5-carboxamide
CID 59145704
2-(2-aminoethylamino)-4-(3-methoxyanilino)pyrimidine-5-carboxamide
CID 15458392
3-amino-6-(3-methoxyphenyl)-N-phenylpyrazine-2-carboxamide
CID 52937360
3-(1H-indol-6-yl)-3-(3-methoxyphenyl)-N-methylpropanamide
CID 59831810
2-(3-methoxyanilino)cyclohexene-1-carboxamide
CID 71388644
3-[[(2R)-1-amino-4-methyl-1-oxopentan-2-yl]amino]-5-(1H-indol-6-ylamino)-1,2,4-triazine-6-carboxamide
CID 118097876
4-(benzylamino)-2-(3-methoxyanilino)pyridine-3-carboxamide
CID 67510736
5-[4-(3-methoxyphenyl)phenyl]-2H-triazole-4-carboxamide
CID 169402846
butyl 3-(3-methoxyanilino)quinoxaline-2-carboxylate
CID 50765138

Frequently Asked Questions

What is the IUPAC name of 5-(1H-indol-6-yl)-3-(3-methoxyanilino)pyrazine-2-carboxamide?
The IUPAC name of 5-(1H-indol-6-yl)-3-(3-methoxyanilino)pyrazine-2-carboxamide (CID 176780901) is 5-(1H-indol-6-yl)-3-(3-methoxyanilino)pyrazine-2-carboxamide.
What is the SMILES notation for 5-(1H-indol-6-yl)-3-(3-methoxyanilino)pyrazine-2-carboxamide?
The canonical SMILES for 5-(1H-indol-6-yl)-3-(3-methoxyanilino)pyrazine-2-carboxamide is COc1cccc(Nc2nc(-c3ccc4cc[nH]c4c3)cnc2C(N)=O)c1.
What is the InChIKey of 5-(1H-indol-6-yl)-3-(3-methoxyanilino)pyrazine-2-carboxamide?
The InChIKey is FQFIZOHUTWRZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O2/c1-27-15-4-2-3-14(10-15)24-20-18(19(21)26)23-11-17(25-20)13-6-5-12-7-8-22-16(12)9-13/h2-11,22H,1H3,(H2,21,26)(H,24,25).
What are the key properties of 5-(1H-indol-6-yl)-3-(3-methoxyanilino)pyrazine-2-carboxamide?
5-(1H-indol-6-yl)-3-(3-methoxyanilino)pyrazine-2-carboxamide has a molecular weight of 359.39 g/mol, XLogP of 3.48, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indol-6-yl)-3-(3-methoxyanilino)pyrazine-2-carboxamide is sourced from PubChem (CID 176780901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).