1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxamide

C11H13Cl2N3O — CID 62890575

IUPAC1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2N3O/c12-7-3-4-10(13)15-8(7)6-16-5-1-2-9(16)11(14)17/h3-4,9H,1-2,5-6H2,(H2,14,17)
InChIKeySGDCLCPXRDMROX-UHFFFAOYSA-N
MW274.15 g/mol
LogP1.84
Rot. Bonds3

About 1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxamide

1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxamide (PubChem CID 62890575) has the molecular formula C11H13Cl2N3O and a molecular weight of 274.15 g/mol. Its IUPAC name is 1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
PubChem CID62890575
Molecular FormulaC11H13Cl2N3O
Molecular Weight274.15 g/mol
Exact Mass273.04
IUPAC Name1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
SMILESNC(=O)C1CCCN1Cc1nc(Cl)ccc1Cl
InChIInChI=1S/C11H13Cl2N3O/c12-7-3-4-10(13)15-8(7)6-16-5-1-2-9(16)11(14)17/h3-4,9H,1-2,5-6H2,(H2,14,17)
InChIKeySGDCLCPXRDMROX-UHFFFAOYSA-N
XLogP1.84
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.15
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

ethyl 1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxylate
CID 62892694
3,6-dichloro-2-[(2,3-dimethylpiperidin-1-yl)methyl]pyridine
CID 62891492
1-[(3-amino-4-chlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 43349867
4-[(6-amino-3-chloro-2-pyridinyl)methyl]morpholine-3-carboxamide
CID 83095377
1-[1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidin-2-yl]-N,N-dimethylmethanamine
CID 62885085
1-[(2,4-dichlorophenyl)methyl]pyrrolidine-2-carboxamide
CID 171323663
1-[(4-aminophenyl)methyl]pyrrolidine-2-carboxamide
CID 43212133
(2R)-1-benzylpyrrolidine-2-carboxamide;hydrochloride
CID 141477985
1-[(6-amino-2-pyridinyl)methyl]pyrrolidine-2-carboxamide
CID 79243973
[1-[(6-amino-3-chloro-2-pyridinyl)methyl]pyrrolidin-2-yl]methanol
CID 62890471
1-[(4-chloro-3-fluorophenyl)methyl]piperidine-2-carboxamide
CID 75514745
1-[(2-chloro-5-nitrophenyl)methyl]pyrrolidine-2-carboxamide
CID 43169162

Frequently Asked Questions

What is the IUPAC name of 1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The IUPAC name of 1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxamide (CID 62890575) is 1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxamide is NC(=O)C1CCCN1Cc1nc(Cl)ccc1Cl.
What is the InChIKey of 1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxamide?
The InChIKey is SGDCLCPXRDMROX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13Cl2N3O/c12-7-3-4-10(13)15-8(7)6-16-5-1-2-9(16)11(14)17/h3-4,9H,1-2,5-6H2,(H2,14,17).
What are the key properties of 1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxamide?
1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxamide has a molecular weight of 274.15 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,6-dichloro-2-pyridinyl)methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 62890575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).