4-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide

C12H17N3O2 — CID 63306283

IUPAC4-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cccnc1CNC(=O)C1CC(O)CN1
InChIInChI=1S/C12H17N3O2/c1-8-3-2-4-13-11(8)7-15-12(17)10-5-9(16)6-14-10/h2-4,9-10,14,16H,5-7H2,1H3,(H,15,17)
InChIKeyMNDQYBLUPIIEJC-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.27
Rot. Bonds3

About 4-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide

4-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 63306283) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
PubChem CID63306283
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESCc1cccnc1CNC(=O)C1CC(O)CN1
InChIInChI=1S/C12H17N3O2/c1-8-3-2-4-13-11(8)7-15-12(17)10-5-9(16)6-14-10/h2-4,9-10,14,16H,5-7H2,1H3,(H,15,17)
InChIKeyMNDQYBLUPIIEJC-UHFFFAOYSA-N
XLogP-0.27
TPSA74.25 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide (CID 63306283) is 4-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide is Cc1cccnc1CNC(=O)C1CC(O)CN1.
What is the InChIKey of 4-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is MNDQYBLUPIIEJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8-3-2-4-13-11(8)7-15-12(17)10-5-9(16)6-14-10/h2-4,9-10,14,16H,5-7H2,1H3,(H,15,17).
What are the key properties of 4-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide?
4-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 235.29 g/mol, XLogP of -0.27, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 63306283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).