3,6-dichloro-N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide

C12H14Cl2N2O — CID 43420554

IUPAC3,6-dichloro-N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide
SMILESCC(C1CC1)N(C)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O/c1-7(8-3-4-8)16(2)12(17)11-9(13)5-6-10(14)15-11/h5-8H,3-4H2,1-2H3
InChIKeyOGNMRCGPCZREIE-UHFFFAOYSA-N
MW273.16 g/mol
LogP3.26
Rot. Bonds3

About 3,6-dichloro-N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide

3,6-dichloro-N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide (PubChem CID 43420554) has the molecular formula C12H14Cl2N2O and a molecular weight of 273.16 g/mol. Its IUPAC name is 3,6-dichloro-N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide
PubChem CID43420554
Molecular FormulaC12H14Cl2N2O
Molecular Weight273.16 g/mol
Exact Mass272.05
IUPAC Name3,6-dichloro-N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide
SMILESCC(C1CC1)N(C)C(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C12H14Cl2N2O/c1-7(8-3-4-8)16(2)12(17)11-9(13)5-6-10(14)15-11/h5-8H,3-4H2,1-2H3
InChIKeyOGNMRCGPCZREIE-UHFFFAOYSA-N
XLogP3.26
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.16
LogP ≤ 53.26
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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Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide (CID 43420554) is 3,6-dichloro-N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide is CC(C1CC1)N(C)C(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide?
The InChIKey is OGNMRCGPCZREIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O/c1-7(8-3-4-8)16(2)12(17)11-9(13)5-6-10(14)15-11/h5-8H,3-4H2,1-2H3.
What are the key properties of 3,6-dichloro-N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide?
3,6-dichloro-N-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide has a molecular weight of 273.16 g/mol, XLogP of 3.26, 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-(1-cyclopropylethyl)-N-methylpyridine-2-carboxamide is sourced from PubChem (CID 43420554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).