N-(1H-indol-5-yl)pyrazine-2-carboxamide

C13H10N4O — CID 110744977

IUPACN-(1H-indol-5-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)c1cnccn1
InChIInChI=1S/C13H10N4O/c18-13(12-8-14-5-6-16-12)17-10-1-2-11-9(7-10)3-4-15-11/h1-8,15H,(H,17,18)
InChIKeyKLPWZVNEWYKGQG-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.21
Rot. Bonds2

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

N-(1H-indol-5-yl)pyrazine-2-carboxamide (PubChem CID 110744977) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is N-(1H-indol-5-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-(1H-indol-5-yl)pyrazine-2-carboxamide
PubChem CID110744977
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC NameN-(1H-indol-5-yl)pyrazine-2-carboxamide
SMILESO=C(Nc1ccc2[nH]ccc2c1)c1cnccn1
InChIInChI=1S/C13H10N4O/c18-13(12-8-14-5-6-16-12)17-10-1-2-11-9(7-10)3-4-15-11/h1-8,15H,(H,17,18)
InChIKeyKLPWZVNEWYKGQG-UHFFFAOYSA-N
XLogP2.21
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1H-indol-5-yl)pyrazine-2-carboxamide?
The IUPAC name of N-(1H-indol-5-yl)pyrazine-2-carboxamide (CID 110744977) is N-(1H-indol-5-yl)pyrazine-2-carboxamide.
What is the SMILES notation for N-(1H-indol-5-yl)pyrazine-2-carboxamide?
The canonical SMILES for N-(1H-indol-5-yl)pyrazine-2-carboxamide is O=C(Nc1ccc2[nH]ccc2c1)c1cnccn1.
What is the InChIKey of N-(1H-indol-5-yl)pyrazine-2-carboxamide?
The InChIKey is KLPWZVNEWYKGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c18-13(12-8-14-5-6-16-12)17-10-1-2-11-9(7-10)3-4-15-11/h1-8,15H,(H,17,18).
What are the key properties of N-(1H-indol-5-yl)pyrazine-2-carboxamide?
N-(1H-indol-5-yl)pyrazine-2-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-5-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 110744977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).