N-(1-pyridin-2-ylpyrrolidin-3-yl)formamide

C10H13N3O — CID 134430978

IUPACN-(1-pyridin-2-ylpyrrolidin-3-yl)formamide
SMILESO=CNC1CCN(c2ccccn2)C1
InChIInChI=1S/C10H13N3O/c14-8-12-9-4-6-13(7-9)10-3-1-2-5-11-10/h1-3,5,8-9H,4,6-7H2,(H,12,14)
InChIKeySSSMCMAQMCBNJR-UHFFFAOYSA-N
MW191.23 g/mol
LogP0.41
Rot. Bonds3

About N-(1-pyridin-2-ylpyrrolidin-3-yl)formamide

N-(1-pyridin-2-ylpyrrolidin-3-yl)formamide (PubChem CID 134430978) has the molecular formula C10H13N3O and a molecular weight of 191.23 g/mol. Its IUPAC name is N-(1-pyridin-2-ylpyrrolidin-3-yl)formamide.

Molecular Properties

Compound NameN-(1-pyridin-2-ylpyrrolidin-3-yl)formamide
PubChem CID134430978
Molecular FormulaC10H13N3O
Molecular Weight191.23 g/mol
Exact Mass191.11
IUPAC NameN-(1-pyridin-2-ylpyrrolidin-3-yl)formamide
SMILESO=CNC1CCN(c2ccccn2)C1
InChIInChI=1S/C10H13N3O/c14-8-12-9-4-6-13(7-9)10-3-1-2-5-11-10/h1-3,5,8-9H,4,6-7H2,(H,12,14)
InChIKeySSSMCMAQMCBNJR-UHFFFAOYSA-N
XLogP0.41
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.23
LogP ≤ 50.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-2-ylpyrrolidin-3-yl)formamide?
The IUPAC name of N-(1-pyridin-2-ylpyrrolidin-3-yl)formamide (CID 134430978) is N-(1-pyridin-2-ylpyrrolidin-3-yl)formamide.
What is the SMILES notation for N-(1-pyridin-2-ylpyrrolidin-3-yl)formamide?
The canonical SMILES for N-(1-pyridin-2-ylpyrrolidin-3-yl)formamide is O=CNC1CCN(c2ccccn2)C1.
What is the InChIKey of N-(1-pyridin-2-ylpyrrolidin-3-yl)formamide?
The InChIKey is SSSMCMAQMCBNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N3O/c14-8-12-9-4-6-13(7-9)10-3-1-2-5-11-10/h1-3,5,8-9H,4,6-7H2,(H,12,14).
What are the key properties of N-(1-pyridin-2-ylpyrrolidin-3-yl)formamide?
N-(1-pyridin-2-ylpyrrolidin-3-yl)formamide has a molecular weight of 191.23 g/mol, XLogP of 0.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-2-ylpyrrolidin-3-yl)formamide is sourced from PubChem (CID 134430978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).