1-[(4-amino-2-pyridinyl)methyl]pyrrolidine-2-carboxamide

C11H16N4O — CID 79244972

IUPAC1-[(4-amino-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1cc(N)ccn1
InChIInChI=1S/C11H16N4O/c12-8-3-4-14-9(6-8)7-15-5-1-2-10(15)11(13)16/h3-4,6,10H,1-2,5,7H2,(H2,12,14)(H2,13,16)
InChIKeyRATFLATUTOEIMD-UHFFFAOYSA-N
MW220.28 g/mol
LogP0.11
Rot. Bonds3

About 1-[(4-amino-2-pyridinyl)methyl]pyrrolidine-2-carboxamide

1-[(4-amino-2-pyridinyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 79244972) has the molecular formula C11H16N4O and a molecular weight of 220.28 g/mol. Its IUPAC name is 1-[(4-amino-2-pyridinyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(4-amino-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
PubChem CID79244972
Molecular FormulaC11H16N4O
Molecular Weight220.28 g/mol
Exact Mass220.13
IUPAC Name1-[(4-amino-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1cc(N)ccn1
InChIInChI=1S/C11H16N4O/c12-8-3-4-14-9(6-8)7-15-5-1-2-10(15)11(13)16/h3-4,6,10H,1-2,5,7H2,(H2,12,14)(H2,13,16)
InChIKeyRATFLATUTOEIMD-UHFFFAOYSA-N
XLogP0.11
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.28
LogP ≤ 50.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[(4-amino-2-pyridinyl)methyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[(4-amino-2-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(4-amino-2-pyridinyl)methyl]pyrrolidine-2-carboxamide (CID 79244972) is 1-[(4-amino-2-pyridinyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(4-amino-2-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(4-amino-2-pyridinyl)methyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1Cc1cc(N)ccn1.
What is the InChIKey of 1-[(4-amino-2-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is RATFLATUTOEIMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O/c12-8-3-4-14-9(6-8)7-15-5-1-2-10(15)11(13)16/h3-4,6,10H,1-2,5,7H2,(H2,12,14)(H2,13,16).
What are the key properties of 1-[(4-amino-2-pyridinyl)methyl]pyrrolidine-2-carboxamide?
1-[(4-amino-2-pyridinyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 220.28 g/mol, XLogP of 0.11, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-amino-2-pyridinyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 79244972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).