3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide

C13H17Cl2N3O — CID 43109626

IUPAC3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2N3O/c1-2-18-7-3-4-9(18)8-16-13(19)12-10(14)5-6-11(15)17-12/h5-6,9H,2-4,7-8H2,1H3,(H,16,19)
InChIKeyMIWDEKBWFKGOTB-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.60
Rot. Bonds4

About 3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide

3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 43109626) has the molecular formula C13H17Cl2N3O and a molecular weight of 302.20 g/mol. Its IUPAC name is 3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
PubChem CID43109626
Molecular FormulaC13H17Cl2N3O
Molecular Weight302.20 g/mol
Exact Mass301.07
IUPAC Name3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide
SMILESCCN1CCCC1CNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C13H17Cl2N3O/c1-2-18-7-3-4-9(18)8-16-13(19)12-10(14)5-6-11(15)17-12/h5-6,9H,2-4,7-8H2,1H3,(H,16,19)
InChIKeyMIWDEKBWFKGOTB-UHFFFAOYSA-N
XLogP2.60
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.60
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

5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methylsulfonylpyrimidine-4-carboxamide
CID 19245706
6-chloro-2-[(1-ethylpyrrolidin-2-yl)methylamino]pyridine-3-carboxylic acid
CID 63376785
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-2-fluorobenzamide
CID 47136529
2-(2,6-dichlorophenyl)-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]acetamide
CID 94003929
2-amino-6-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 55244322
2-[(1-ethylpyrrolidin-2-yl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 63614750
3-amino-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]pyrazine-2-carboxamide
CID 94018036
4-chloro-N-[[(2R)-1-ethylpyrrolidin-2-yl]methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8839720
4-bromo-N-[(1-ethylpyrrolidin-2-yl)methyl]benzamide
CID 3919173
N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-4-fluorobenzamide
CID 778881
5-chloro-N-[(1-ethylpyrrolidin-2-yl)methyl]-1,3,4-thiadiazole-2-carboxamide
CID 80625570
3,6-dichloro-N-[3-(2-methylpiperidin-1-yl)propyl]pyridine-2-carboxamide
CID 43080560

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide (CID 43109626) is 3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide is CCN1CCCC1CNC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is MIWDEKBWFKGOTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17Cl2N3O/c1-2-18-7-3-4-9(18)8-16-13(19)12-10(14)5-6-11(15)17-12/h5-6,9H,2-4,7-8H2,1H3,(H,16,19).
What are the key properties of 3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide?
3,6-dichloro-N-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 302.20 g/mol, XLogP of 2.60, 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-[(1-ethylpyrrolidin-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 43109626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).