3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide

C11H10Cl2N4O — CID 63236046

IUPAC3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
SMILESCn1ccnc1CNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H10Cl2N4O/c1-17-5-4-14-9(17)6-15-11(18)10-7(12)2-3-8(13)16-10/h2-5H,6H2,1H3,(H,15,18)
InChIKeyXKTLXCXLZXAWET-UHFFFAOYSA-N
MW285.13 g/mol
LogP2.05
Rot. Bonds3

About 3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide

3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide (PubChem CID 63236046) has the molecular formula C11H10Cl2N4O and a molecular weight of 285.13 g/mol. Its IUPAC name is 3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
PubChem CID63236046
Molecular FormulaC11H10Cl2N4O
Molecular Weight285.13 g/mol
Exact Mass284.02
IUPAC Name3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide
SMILESCn1ccnc1CNC(=O)c1nc(Cl)ccc1Cl
InChIInChI=1S/C11H10Cl2N4O/c1-17-5-4-14-9(17)6-15-11(18)10-7(12)2-3-8(13)16-10/h2-5H,6H2,1H3,(H,15,18)
InChIKeyXKTLXCXLZXAWET-UHFFFAOYSA-N
XLogP2.05
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.13
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-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

3-bromo-4-chloro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 113329947
3-chloro-6-hydrazinyl-N-[2-(1-methylimidazol-2-yl)ethyl]pyridine-2-carboxamide
CID 62248784
3,6-dichloro-N-[(1-methylimidazol-2-yl)-phenylmethyl]pyridine-2-carboxamide
CID 42924153
5-chloro-2-fluoro-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 63235961
(1-methylimidazol-2-yl)methylcarbamic acid
CID 89157603
N-[(1-methylimidazol-2-yl)methyl]naphthalene-1-carboxamide
CID 110440177
2-[(1-methylimidazol-2-yl)methylamino]-2-oxoacetic acid
CID 63292500
4-(bromomethyl)-N-[(1-methylimidazol-2-yl)methyl]benzamide
CID 102851668
1-(4-chlorophenyl)-3-[(1-methylimidazol-2-yl)methyl]urea
CID 110446812
2-chloro-5-[(1-methylimidazol-2-yl)methylcarbamoylamino]benzoic acid
CID 63294627
3,6-dichloro-N-(1H-pyrazol-5-ylmethyl)pyridine-2-carboxamide
CID 47285902
N-[(1-methylimidazol-2-yl)methyl]-1,3-thiazole-2-carboxamide
CID 110467928

Frequently Asked Questions

What is the IUPAC name of 3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide?
The IUPAC name of 3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide (CID 63236046) is 3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide.
What is the SMILES notation for 3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide?
The canonical SMILES for 3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide is Cn1ccnc1CNC(=O)c1nc(Cl)ccc1Cl.
What is the InChIKey of 3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide?
The InChIKey is XKTLXCXLZXAWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Cl2N4O/c1-17-5-4-14-9(17)6-15-11(18)10-7(12)2-3-8(13)16-10/h2-5H,6H2,1H3,(H,15,18).
What are the key properties of 3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide?
3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide has a molecular weight of 285.13 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-dichloro-N-[(1-methylimidazol-2-yl)methyl]pyridine-2-carboxamide is sourced from PubChem (CID 63236046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).