(2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide

C10H13N3O — CID 10607737

IUPAC(2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccnc1)[C@@H]1CCCN1
InChIInChI=1S/C10H13N3O/c14-10(9-4-2-6-12-9)13-8-3-1-5-11-7-8/h1,3,5,7,9,12H,2,4,6H2,(H,13,14)/t9-/m0/s1
InChIKeyHOQVOMSGUVLPIL-VIFPVBQESA-N
MW191.23 g/mol
LogP0.77
Rot. Bonds2

About (2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide

(2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide (PubChem CID 10607737) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is (2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide
PubChem CID10607737
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC Name(2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide
SMILESO=C(Nc1cccnc1)[C@@H]1CCCN1
InChIInChI=1S/C10H13N3O/c14-10(9-4-2-6-12-9)13-8-3-1-5-11-7-8/h1,3,5,7,9,12H,2,4,6H2,(H,13,14)/t9-/m0/s1
InChIKeyHOQVOMSGUVLPIL-VIFPVBQESA-N
XLogP0.77
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide (CID 10607737) is (2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide is O=C(Nc1cccnc1)[C@@H]1CCCN1.
What is the InChIKey of (2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide?
The InChIKey is HOQVOMSGUVLPIL-VIFPVBQESA-N. The full InChI is InChI=1S/C10H13N3O/c14-10(9-4-2-6-12-9)13-8-3-1-5-11-7-8/h1,3,5,7,9,12H,2,4,6H2,(H,13,14)/t9-/m0/s1.
What are the key properties of (2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide?
(2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide has a molecular weight of 191.23 g/mol, XLogP of 0.77, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide is sourced from PubChem (CID 10607737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).