2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide

C12H12Cl2N4O — CID 61217931

IUPAC2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCn1ccnc1CCNC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H12Cl2N4O/c1-18-5-4-15-11(18)2-3-16-12(19)8-6-9(13)17-10(14)7-8/h4-7H,2-3H2,1H3,(H,16,19)
InChIKeyDACVNFCNBFMYNQ-UHFFFAOYSA-N
MW299.16 g/mol
LogP2.09
Rot. Bonds4

About 2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide

2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide (PubChem CID 61217931) has the molecular formula C12H12Cl2N4O and a molecular weight of 299.16 g/mol. Its IUPAC name is 2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide.

Molecular Properties

Compound Name2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
PubChem CID61217931
Molecular FormulaC12H12Cl2N4O
Molecular Weight299.16 g/mol
Exact Mass298.04
IUPAC Name2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
SMILESCn1ccnc1CCNC(=O)c1cc(Cl)nc(Cl)c1
InChIInChI=1S/C12H12Cl2N4O/c1-18-5-4-15-11(18)2-3-16-12(19)8-6-9(13)17-10(14)7-8/h4-7H,2-3H2,1H3,(H,16,19)
InChIKeyDACVNFCNBFMYNQ-UHFFFAOYSA-N
XLogP2.09
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.16
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 62248961
2,5-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide
CID 114918135
2,6-dichloro-N-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyridine-4-carboxamide
CID 63330503
5-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 62248435
5-bromo-N-[2-(1-methylimidazol-2-yl)ethyl]thiophene-3-carboxamide
CID 61211107
N-[2-(1-methylimidazol-2-yl)ethyl]-3-sulfanylbenzamide
CID 107027461
4,6-dimethyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyrimidine-5-carboxamide
CID 122555866
5-chloro-2-iodo-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 113228022
3-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62248784
4-(4,6-dimethoxypyrimidin-2-yl)-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 118771709
2-(4-chlorophenyl)-N-[2-(1-methylimidazol-2-yl)ethyl]acetamide
CID 110476101
2-fluoro-N-[2-(1-methylimidazol-2-yl)ethyl]benzamide
CID 61215487

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide?
The IUPAC name of 2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide (CID 61217931) is 2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide.
What is the SMILES notation for 2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide?
The canonical SMILES for 2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide is Cn1ccnc1CCNC(=O)c1cc(Cl)nc(Cl)c1.
What is the InChIKey of 2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide?
The InChIKey is DACVNFCNBFMYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N4O/c1-18-5-4-15-11(18)2-3-16-12(19)8-6-9(13)17-10(14)7-8/h4-7H,2-3H2,1H3,(H,16,19).
What are the key properties of 2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide?
2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide has a molecular weight of 299.16 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-4-carboxamide is sourced from PubChem (CID 61217931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).