6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide

C11H9ClN4O — CID 106832257

IUPAC6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnn1)c1ccc(Cl)nc1
InChIInChI=1S/C11H9ClN4O/c12-10-4-3-8(6-13-10)11(17)14-7-9-2-1-5-15-16-9/h1-6H,7H2,(H,14,17)
InChIKeyQFSUHVLXKWOFLO-UHFFFAOYSA-N
MW248.67 g/mol
LogP1.46
Rot. Bonds3

About 6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide

6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide (PubChem CID 106832257) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
PubChem CID106832257
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
SMILESO=C(NCc1cccnn1)c1ccc(Cl)nc1
InChIInChI=1S/C11H9ClN4O/c12-10-4-3-8(6-13-10)11(17)14-7-9-2-1-5-15-16-9/h1-6H,7H2,(H,14,17)
InChIKeyQFSUHVLXKWOFLO-UHFFFAOYSA-N
XLogP1.46
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide
CID 106894633
2-tert-butyl-6-chloro-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide
CID 106895538
6-chloro-N-[[2-(hydroxymethyl)phenyl]methyl]pyridine-3-carboxamide
CID 110902455
5-chloro-N-(pyridazin-3-ylmethyl)-1,3,4-thiadiazole-2-carboxamide
CID 106895536
6-chloro-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyridine-3-carboxamide
CID 47230453
6-chloro-N-ethylpyridine-3-carboxamide
CID 819370
6-chloro-N-(1H-1,2,4-triazol-5-ylmethyl)pyridine-3-carboxamide
CID 60983185
6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-sulfonamide
CID 106833700
5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide
CID 106832300
3-amino-4-bromo-N-(pyridazin-3-ylmethyl)benzamide
CID 106894619
6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide
CID 106832306
3-amino-N-(pyridazin-3-ylmethyl)pyridine-2-carboxamide
CID 106896014

Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide?
The IUPAC name of 6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide (CID 106832257) is 6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide?
The canonical SMILES for 6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide is O=C(NCc1cccnn1)c1ccc(Cl)nc1.
What is the InChIKey of 6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide?
The InChIKey is QFSUHVLXKWOFLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-10-4-3-8(6-13-10)11(17)14-7-9-2-1-5-15-16-9/h1-6H,7H2,(H,14,17).
What are the key properties of 6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide?
6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide has a molecular weight of 248.67 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide is sourced from PubChem (CID 106832257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).