2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide

C13H14Cl2N2O — CID 106993943

IUPAC2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide
SMILESO=C(c1ccc(Cl)nc1Cl)N(CC1CC1)C1CC1
InChIInChI=1S/C13H14Cl2N2O/c14-11-6-5-10(12(15)16-11)13(18)17(9-3-4-9)7-8-1-2-8/h5-6,8-9H,1-4,7H2
InChIKeyHEDDGCGSMNTDOS-UHFFFAOYSA-N
MW285.17 g/mol
LogP3.40
Rot. Bonds4

About 2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide

2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide (PubChem CID 106993943) has the molecular formula C13H14Cl2N2O and a molecular weight of 285.17 g/mol. Its IUPAC name is 2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide
PubChem CID106993943
Molecular FormulaC13H14Cl2N2O
Molecular Weight285.17 g/mol
Exact Mass284.05
IUPAC Name2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide
SMILESO=C(c1ccc(Cl)nc1Cl)N(CC1CC1)C1CC1
InChIInChI=1S/C13H14Cl2N2O/c14-11-6-5-10(12(15)16-11)13(18)17(9-3-4-9)7-8-1-2-8/h5-6,8-9H,1-4,7H2
InChIKeyHEDDGCGSMNTDOS-UHFFFAOYSA-N
XLogP3.40
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.17
LogP ≤ 53.40
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 2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide?
The IUPAC name of 2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide (CID 106993943) is 2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide is O=C(c1ccc(Cl)nc1Cl)N(CC1CC1)C1CC1.
What is the InChIKey of 2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide?
The InChIKey is HEDDGCGSMNTDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14Cl2N2O/c14-11-6-5-10(12(15)16-11)13(18)17(9-3-4-9)7-8-1-2-8/h5-6,8-9H,1-4,7H2.
What are the key properties of 2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide?
2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide has a molecular weight of 285.17 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-cyclopropyl-N-(cyclopropylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 106993943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).