3,6-dichloro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide

C12H15Cl2N3O — CID 1397872

IUPAC3,6-dichloro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCCN1CCCC1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2N3O/c13-9-3-4-10(14)16-11(9)12(18)15-5-8-17-6-1-2-7-17/h3-4H,1-2,5-8H2,(H,15,18)
InChIKeyRIEUIFHEZPLBFW-UHFFFAOYSA-N
MW288.18 g/mol
LogP2.21
Rot. Bonds4

About 3,6-dichloro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide

3,6-dichloro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide (PubChem CID 1397872) has the molecular formula C12H15Cl2N3O and a molecular weight of 288.18 g/mol. Its IUPAC name is 3,6-dichloro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
PubChem CID1397872
Molecular FormulaC12H15Cl2N3O
Molecular Weight288.18 g/mol
Exact Mass287.06
IUPAC Name3,6-dichloro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide
SMILESO=C(NCCN1CCCC1)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H15Cl2N3O/c13-9-3-4-10(14)16-11(9)12(18)15-5-8-17-6-1-2-7-17/h3-4H,1-2,5-8H2,(H,15,18)
InChIKeyRIEUIFHEZPLBFW-UHFFFAOYSA-N
XLogP2.21
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.18
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,6-dichloro-N-(2-pyrrolidin-1-ylethyl)pyridine-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

Related Compounds

3,6-dichloro-N-(3-oxo-3-pyrrolidin-1-ylpropyl)pyridine-2-carboxamide
CID 46597760
6-chloro-N-(2-piperidin-1-ylethyl)pyridine-2-carboxamide
CID 55052305
3,6-dichloro-N-(2-hydroxyethyl)pyridine-2-carboxamide
CID 60692450
3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 43080560
2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide;hydrochloride
CID 2941366
3,6-dichloro-N-(1-propylpiperidin-4-yl)pyridine-2-carboxamide
CID 60693528
5-amino-2-chloro-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 62636573
3,6-dichloro-N-[3-(dimethylamino)-3-oxopropyl]pyridine-2-carboxamide
CID 47215448
5-chloro-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 25237516
3,6-dichloro-N-hex-5-ynylpyridine-2-carboxamide
CID 103758152
3,6-dichloro-N-(3-methylsulfinylpropyl)pyridine-2-carboxamide
CID 115619986
2,3-dichloro-N-(2-piperidin-1-ylethyl)benzamide
CID 17173706

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide (CID 1397872) is 3,6-dichloro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide is O=C(NCCN1CCCC1)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide?
The InChIKey is RIEUIFHEZPLBFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15Cl2N3O/c13-9-3-4-10(14)16-11(9)12(18)15-5-8-17-6-1-2-7-17/h3-4H,1-2,5-8H2,(H,15,18).
What are the key properties of 3,6-dichloro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide?
3,6-dichloro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide has a molecular weight of 288.18 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(2-pyrrolidin-1-ylethyl)pyridine-2-carboxamide is sourced from PubChem (CID 1397872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).