5,6-dichloro-N-[1-(dimethylamino)ethylidene]pyridine-3-carboxamide

C10H11Cl2N3O — CID 23288262

IUPAC5,6-dichloro-N-[1-(dimethylamino)ethylidene]pyridine-3-carboxamide
SMILESC/C(=N\C(=O)c1cnc(Cl)c(Cl)c1)N(C)C
InChIInChI=1S/C10H11Cl2N3O/c1-6(15(2)3)14-10(16)7-4-8(11)9(12)13-5-7/h4-5H,1-3H3/b14-6+
InChIKeyWVPYYUUUZYKBFD-MKMNVTDBSA-N
MW260.12 g/mol
LogP2.51
Rot. Bonds1

About 5,6-dichloro-N-[1-(dimethylamino)ethylidene]pyridine-3-carboxamide

5,6-dichloro-N-[1-(dimethylamino)ethylidene]pyridine-3-carboxamide (PubChem CID 23288262) has the molecular formula C10H11Cl2N3O and a molecular weight of 260.12 g/mol. Its IUPAC name is 5,6-dichloro-N-[1-(dimethylamino)ethylidene]pyridine-3-carboxamide.

Molecular Properties

Compound Name5,6-dichloro-N-[1-(dimethylamino)ethylidene]pyridine-3-carboxamide
PubChem CID23288262
Molecular FormulaC10H11Cl2N3O
Molecular Weight260.12 g/mol
Exact Mass259.03
IUPAC Name5,6-dichloro-N-[1-(dimethylamino)ethylidene]pyridine-3-carboxamide
SMILESC/C(=N\C(=O)c1cnc(Cl)c(Cl)c1)N(C)C
InChIInChI=1S/C10H11Cl2N3O/c1-6(15(2)3)14-10(16)7-4-8(11)9(12)13-5-7/h4-5H,1-3H3/b14-6+
InChIKeyWVPYYUUUZYKBFD-MKMNVTDBSA-N
XLogP2.51
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.12
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-N-[1-(dimethylamino)ethylidene]pyridine-3-carboxamide?
The IUPAC name of 5,6-dichloro-N-[1-(dimethylamino)ethylidene]pyridine-3-carboxamide (CID 23288262) is 5,6-dichloro-N-[1-(dimethylamino)ethylidene]pyridine-3-carboxamide.
What is the SMILES notation for 5,6-dichloro-N-[1-(dimethylamino)ethylidene]pyridine-3-carboxamide?
The canonical SMILES for 5,6-dichloro-N-[1-(dimethylamino)ethylidene]pyridine-3-carboxamide is C/C(=N\C(=O)c1cnc(Cl)c(Cl)c1)N(C)C.
What is the InChIKey of 5,6-dichloro-N-[1-(dimethylamino)ethylidene]pyridine-3-carboxamide?
The InChIKey is WVPYYUUUZYKBFD-MKMNVTDBSA-N. The full InChI is InChI=1S/C10H11Cl2N3O/c1-6(15(2)3)14-10(16)7-4-8(11)9(12)13-5-7/h4-5H,1-3H3/b14-6+.
What are the key properties of 5,6-dichloro-N-[1-(dimethylamino)ethylidene]pyridine-3-carboxamide?
5,6-dichloro-N-[1-(dimethylamino)ethylidene]pyridine-3-carboxamide has a molecular weight of 260.12 g/mol, XLogP of 2.51, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-N-[1-(dimethylamino)ethylidene]pyridine-3-carboxamide is sourced from PubChem (CID 23288262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).