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

C14H13N5O — CID 123176707

IUPAC3-(1H-indol-2-yl)-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cnc(C(N)=O)c(-c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C14H13N5O/c1-16-11-7-17-13(14(15)20)12(19-11)10-6-8-4-2-3-5-9(8)18-10/h2-7,18H,1H3,(H2,15,20)(H,16,19)
InChIKeyWIPWZHNXXOPTOE-UHFFFAOYSA-N
MW267.29 g/mol
LogP1.77
Rot. Bonds3

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

3-(1H-indol-2-yl)-5-(methylamino)pyrazine-2-carboxamide (PubChem CID 123176707) has the molecular formula C14H13N5O and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-(1H-indol-2-yl)-5-(methylamino)pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-(1H-indol-2-yl)-5-(methylamino)pyrazine-2-carboxamide
PubChem CID123176707
Molecular FormulaC14H13N5O
Molecular Weight267.29 g/mol
Exact Mass267.11
IUPAC Name3-(1H-indol-2-yl)-5-(methylamino)pyrazine-2-carboxamide
SMILESCNc1cnc(C(N)=O)c(-c2cc3ccccc3[nH]2)n1
InChIInChI=1S/C14H13N5O/c1-16-11-7-17-13(14(15)20)12(19-11)10-6-8-4-2-3-5-9(8)18-10/h2-7,18H,1H3,(H2,15,20)(H,16,19)
InChIKeyWIPWZHNXXOPTOE-UHFFFAOYSA-N
XLogP1.77
TPSA96.69 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-2-yl)-5-(methylamino)pyrazine-2-carboxamide?
The IUPAC name of 3-(1H-indol-2-yl)-5-(methylamino)pyrazine-2-carboxamide (CID 123176707) is 3-(1H-indol-2-yl)-5-(methylamino)pyrazine-2-carboxamide.
What is the SMILES notation for 3-(1H-indol-2-yl)-5-(methylamino)pyrazine-2-carboxamide?
The canonical SMILES for 3-(1H-indol-2-yl)-5-(methylamino)pyrazine-2-carboxamide is CNc1cnc(C(N)=O)c(-c2cc3ccccc3[nH]2)n1.
What is the InChIKey of 3-(1H-indol-2-yl)-5-(methylamino)pyrazine-2-carboxamide?
The InChIKey is WIPWZHNXXOPTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O/c1-16-11-7-17-13(14(15)20)12(19-11)10-6-8-4-2-3-5-9(8)18-10/h2-7,18H,1H3,(H2,15,20)(H,16,19).
What are the key properties of 3-(1H-indol-2-yl)-5-(methylamino)pyrazine-2-carboxamide?
3-(1H-indol-2-yl)-5-(methylamino)pyrazine-2-carboxamide has a molecular weight of 267.29 g/mol, XLogP of 1.77, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-2-yl)-5-(methylamino)pyrazine-2-carboxamide is sourced from PubChem (CID 123176707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).