4-pyrrolidin-1-ylpyridine-2-carboxamide

C10H13N3O — CID 55222242

IUPAC4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESNC(=O)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C10H13N3O/c11-10(14)9-7-8(3-4-12-9)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H2,11,14)
InChIKeyDQSPZCXCVYKOKL-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.78
Rot. Bonds2

About 4-pyrrolidin-1-ylpyridine-2-carboxamide

4-pyrrolidin-1-ylpyridine-2-carboxamide (PubChem CID 55222242) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound Name4-pyrrolidin-1-ylpyridine-2-carboxamide
PubChem CID55222242
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name4-pyrrolidin-1-ylpyridine-2-carboxamide
SMILESNC(=O)c1cc(N2CCCC2)ccn1
InChIInChI=1S/C10H13N3O/c11-10(14)9-7-8(3-4-12-9)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H2,11,14)
InChIKeyDQSPZCXCVYKOKL-UHFFFAOYSA-N
XLogP0.78
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylpyridine-2-carboxamide?
The IUPAC name of 4-pyrrolidin-1-ylpyridine-2-carboxamide (CID 55222242) is 4-pyrrolidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for 4-pyrrolidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for 4-pyrrolidin-1-ylpyridine-2-carboxamide is NC(=O)c1cc(N2CCCC2)ccn1.
What is the InChIKey of 4-pyrrolidin-1-ylpyridine-2-carboxamide?
The InChIKey is DQSPZCXCVYKOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c11-10(14)9-7-8(3-4-12-9)13-5-1-2-6-13/h3-4,7H,1-2,5-6H2,(H2,11,14).
What are the key properties of 4-pyrrolidin-1-ylpyridine-2-carboxamide?
4-pyrrolidin-1-ylpyridine-2-carboxamide has a molecular weight of 191.23 g/mol, XLogP of 0.78, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 55222242), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).