3-(1H-pyrrol-3-yl)pyridine-2-carboxamide

C10H9N3O — CID 118165857

IUPAC3-(1H-pyrrol-3-yl)pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1-c1cc[nH]c1
InChIInChI=1S/C10H9N3O/c11-10(14)9-8(2-1-4-13-9)7-3-5-12-6-7/h1-6,12H,(H2,11,14)
InChIKeyIVPBBVIVZICFOZ-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.18
Rot. Bonds2

About 3-(1H-pyrrol-3-yl)pyridine-2-carboxamide

3-(1H-pyrrol-3-yl)pyridine-2-carboxamide (PubChem CID 118165857) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-(1H-pyrrol-3-yl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-(1H-pyrrol-3-yl)pyridine-2-carboxamide
PubChem CID118165857
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC Name3-(1H-pyrrol-3-yl)pyridine-2-carboxamide
SMILESNC(=O)c1ncccc1-c1cc[nH]c1
InChIInChI=1S/C10H9N3O/c11-10(14)9-8(2-1-4-13-9)7-3-5-12-6-7/h1-6,12H,(H2,11,14)
InChIKeyIVPBBVIVZICFOZ-UHFFFAOYSA-N
XLogP1.18
TPSA71.77 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(1H-pyrrol-3-yl)pyridine-2-carboxamide?
The IUPAC name of 3-(1H-pyrrol-3-yl)pyridine-2-carboxamide (CID 118165857) is 3-(1H-pyrrol-3-yl)pyridine-2-carboxamide.
What is the SMILES notation for 3-(1H-pyrrol-3-yl)pyridine-2-carboxamide?
The canonical SMILES for 3-(1H-pyrrol-3-yl)pyridine-2-carboxamide is NC(=O)c1ncccc1-c1cc[nH]c1.
What is the InChIKey of 3-(1H-pyrrol-3-yl)pyridine-2-carboxamide?
The InChIKey is IVPBBVIVZICFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c11-10(14)9-8(2-1-4-13-9)7-3-5-12-6-7/h1-6,12H,(H2,11,14).
What are the key properties of 3-(1H-pyrrol-3-yl)pyridine-2-carboxamide?
3-(1H-pyrrol-3-yl)pyridine-2-carboxamide has a molecular weight of 187.20 g/mol, XLogP of 1.18, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-pyrrol-3-yl)pyridine-2-carboxamide is sourced from PubChem (CID 118165857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).