N-pyridin-2-yl-1H-pyrrole-3-carboxamide

C10H9N3O — CID 91447099

IUPACN-pyridin-2-yl-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1ccccn1)c1cc[nH]c1
InChIInChI=1S/C10H9N3O/c14-10(8-4-6-11-7-8)13-9-3-1-2-5-12-9/h1-7,11H,(H,12,13,14)
InChIKeyYSPOXVQKRLSNMD-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.66
Rot. Bonds2

About N-pyridin-2-yl-1H-pyrrole-3-carboxamide

N-pyridin-2-yl-1H-pyrrole-3-carboxamide (PubChem CID 91447099) has the molecular formula C10H9N3O and a molecular weight of 187.20 g/mol. Its IUPAC name is N-pyridin-2-yl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound NameN-pyridin-2-yl-1H-pyrrole-3-carboxamide
PubChem CID91447099
Molecular FormulaC10H9N3O
Molecular Weight187.20 g/mol
Exact Mass187.07
IUPAC NameN-pyridin-2-yl-1H-pyrrole-3-carboxamide
SMILESO=C(Nc1ccccn1)c1cc[nH]c1
InChIInChI=1S/C10H9N3O/c14-10(8-4-6-11-7-8)13-9-3-1-2-5-12-9/h1-7,11H,(H,12,13,14)
InChIKeyYSPOXVQKRLSNMD-UHFFFAOYSA-N
XLogP1.66
TPSA57.78 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 ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N-pyridin-2-yl-1H-pyrrole-3-carboxamide?
The IUPAC name of N-pyridin-2-yl-1H-pyrrole-3-carboxamide (CID 91447099) is N-pyridin-2-yl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for N-pyridin-2-yl-1H-pyrrole-3-carboxamide?
The canonical SMILES for N-pyridin-2-yl-1H-pyrrole-3-carboxamide is O=C(Nc1ccccn1)c1cc[nH]c1.
What is the InChIKey of N-pyridin-2-yl-1H-pyrrole-3-carboxamide?
The InChIKey is YSPOXVQKRLSNMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O/c14-10(8-4-6-11-7-8)13-9-3-1-2-5-12-9/h1-7,11H,(H,12,13,14).
What are the key properties of N-pyridin-2-yl-1H-pyrrole-3-carboxamide?
N-pyridin-2-yl-1H-pyrrole-3-carboxamide has a molecular weight of 187.20 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-pyridin-2-yl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 91447099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).