2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide

C15H12Cl2N4O — CID 78895322

IUPAC2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCN(Cc1ccc(Cl)nc1)C(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C15H12Cl2N4O/c1-20(9-10-5-6-11(16)18-8-10)15(22)13-14(17)19-12-4-2-3-7-21(12)13/h2-8H,9H2,1H3
InChIKeyNRTOMDNMJJFBBR-UHFFFAOYSA-N
MW335.19 g/mol
LogP3.31
Rot. Bonds3

About 2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide

2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 78895322) has the molecular formula C15H12Cl2N4O and a molecular weight of 335.19 g/mol. Its IUPAC name is 2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
PubChem CID78895322
Molecular FormulaC15H12Cl2N4O
Molecular Weight335.19 g/mol
Exact Mass334.04
IUPAC Name2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide
SMILESCN(Cc1ccc(Cl)nc1)C(=O)c1c(Cl)nc2ccccn12
InChIInChI=1S/C15H12Cl2N4O/c1-20(9-10-5-6-11(16)18-8-10)15(22)13-14(17)19-12-4-2-3-7-21(12)13/h2-8H,9H2,1H3
InChIKeyNRTOMDNMJJFBBR-UHFFFAOYSA-N
XLogP3.31
TPSA50.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.19
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide?
The IUPAC name of 2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide (CID 78895322) is 2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide.
What is the SMILES notation for 2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide?
The canonical SMILES for 2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide is CN(Cc1ccc(Cl)nc1)C(=O)c1c(Cl)nc2ccccn12.
What is the InChIKey of 2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide?
The InChIKey is NRTOMDNMJJFBBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Cl2N4O/c1-20(9-10-5-6-11(16)18-8-10)15(22)13-14(17)19-12-4-2-3-7-21(12)13/h2-8H,9H2,1H3.
What are the key properties of 2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide?
2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 335.19 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(6-chloro-3-pyridinyl)methyl]-N-methylimidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 78895322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).