3,6-dichloro-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide

C13H16Cl2N2O — CID 62053831

IUPAC3,6-dichloro-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
SMILESCN(CC1CCCC1)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O/c1-17(8-9-4-2-3-5-9)13(18)12-10(14)6-7-11(15)16-12/h6-7,9H,2-5,8H2,1H3
InChIKeyAYHCVZFCSGWTGK-UHFFFAOYSA-N
MW287.19 g/mol
LogP3.65
Rot. Bonds3

About 3,6-dichloro-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide

3,6-dichloro-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide (PubChem CID 62053831) has the molecular formula C13H16Cl2N2O and a molecular weight of 287.19 g/mol. Its IUPAC name is 3,6-dichloro-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
PubChem CID62053831
Molecular FormulaC13H16Cl2N2O
Molecular Weight287.19 g/mol
Exact Mass286.06
IUPAC Name3,6-dichloro-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
SMILESCN(CC1CCCC1)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O/c1-17(8-9-4-2-3-5-9)13(18)12-10(14)6-7-11(15)16-12/h6-7,9H,2-5,8H2,1H3
InChIKeyAYHCVZFCSGWTGK-UHFFFAOYSA-N
XLogP3.65
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.19
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

6-amino-3-chloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 63235274
3-chloro-6-hydrazinyl-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-2-carboxamide
CID 63235022
6-chloro-N-(cyclopropylmethyl)-N-methylpyridine-2-carboxamide
CID 62234897
2,6-dichloro-N-methyl-N-[(1-methylpiperidin-4-yl)methyl]pyridine-3-carboxamide
CID 106993833
3,6-dichloro-N-[2-(diethylamino)-2-oxoethyl]-N-methylpyridine-2-carboxamide
CID 60718086
3,6-dichloro-N-[(3,5-dichlorophenyl)methyl]-N-methylpyridine-2-carboxamide
CID 60794885
3,6-dichloro-N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide
CID 43420554
2,6-dichloro-N-methyl-N-(oxan-4-ylmethyl)pyridine-3-carboxamide
CID 103881825
3,6-dichloro-N-ethyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
CID 61051779
3-chloro-N-(cyclobutylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
CID 107401299
3-bromo-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 107518990
6-[cyclohexylmethyl(methyl)carbamoyl]pyridine-2-carboxylic acid
CID 61444061

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide (CID 62053831) is 3,6-dichloro-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide is CN(CC1CCCC1)C(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide?
The InChIKey is AYHCVZFCSGWTGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O/c1-17(8-9-4-2-3-5-9)13(18)12-10(14)6-7-11(15)16-12/h6-7,9H,2-5,8H2,1H3.
What are the key properties of 3,6-dichloro-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide?
3,6-dichloro-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide has a molecular weight of 287.19 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 62053831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).