3,6-dichloro-N-ethyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide

C13H16Cl2N2O2 — CID 61051779

IUPAC3,6-dichloro-N-ethyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
SMILESCCN(CC1CCOC1)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c1-2-17(7-9-5-6-19-8-9)13(18)12-10(14)3-4-11(15)16-12/h3-4,9H,2,5-8H2,1H3
InChIKeyYHXBMVBFRPXAJL-UHFFFAOYSA-N
MW303.19 g/mol
LogP2.89
Rot. Bonds4

About 3,6-dichloro-N-ethyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide

3,6-dichloro-N-ethyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 61051779) has the molecular formula C13H16Cl2N2O2 and a molecular weight of 303.19 g/mol. Its IUPAC name is 3,6-dichloro-N-ethyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-ethyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
PubChem CID61051779
Molecular FormulaC13H16Cl2N2O2
Molecular Weight303.19 g/mol
Exact Mass302.06
IUPAC Name3,6-dichloro-N-ethyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide
SMILESCCN(CC1CCOC1)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C13H16Cl2N2O2/c1-2-17(7-9-5-6-19-8-9)13(18)12-10(14)3-4-11(15)16-12/h3-4,9H,2,5-8H2,1H3
InChIKeyYHXBMVBFRPXAJL-UHFFFAOYSA-N
XLogP2.89
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.19
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-amino-2-chloro-N-ethyl-N-(oxolan-3-ylmethyl)benzamide
CID 112575684
1-(2-chlorophenyl)-N-ethyl-5-methyl-N-(oxolan-3-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 51099460
3-chloro-N-(cyclopropylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
CID 63940498
N-ethyl-3-methyl-4-oxo-N-(oxolan-3-ylmethyl)phthalazine-1-carboxamide
CID 51082580
trans-(1S,2S)-2-(3,4-dichlorophenyl)-N-ethyl-N-[[(3S)-oxolan-3-yl]methyl]cyclopropane-1-carboxamide
CID 95247590
3-chloro-N-(cyclobutylmethyl)-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
CID 107401299
2-chloro-N-ethyl-3-nitro-N-(oxolan-3-ylmethyl)pyridine-4-carboxamide
CID 64868737
5-amino-N-ethyl-N-(oxolan-3-ylmethyl)-1H-indazole-3-carboxamide
CID 61116521
3,6-dichloro-N-ethyl-N-prop-2-ynylpyridine-2-carboxamide
CID 78970836
N-ethyl-2-fluoro-3-methyl-N-(oxolan-3-ylmethyl)benzamide
CID 80719027
4-amino-N,5-diethyl-N-(oxolan-3-ylmethyl)-1H-pyrazole-3-carboxamide
CID 62080957
3,6-dichloro-N-(cyclopentylmethyl)-N-methylpyridine-2-carboxamide
CID 62053831

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-ethyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-ethyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide (CID 61051779) is 3,6-dichloro-N-ethyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-ethyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-ethyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide is CCN(CC1CCOC1)C(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-ethyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is YHXBMVBFRPXAJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16Cl2N2O2/c1-2-17(7-9-5-6-19-8-9)13(18)12-10(14)3-4-11(15)16-12/h3-4,9H,2,5-8H2,1H3.
What are the key properties of 3,6-dichloro-N-ethyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide?
3,6-dichloro-N-ethyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 303.19 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-ethyl-N-(oxolan-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 61051779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).