2-tert-butyl-6-chloro-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide

C15H17ClN4O — CID 106895538

IUPAC2-tert-butyl-6-chloro-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NCc2cccnn2)cc(Cl)n1
InChIInChI=1S/C15H17ClN4O/c1-15(2,3)12-7-10(8-13(16)19-12)14(21)17-9-11-5-4-6-18-20-11/h4-8H,9H2,1-3H3,(H,17,21)
InChIKeyINRHFWOVARWDLQ-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.75
Rot. Bonds3

About 2-tert-butyl-6-chloro-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide

2-tert-butyl-6-chloro-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide (PubChem CID 106895538) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-tert-butyl-6-chloro-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide.

Molecular Properties

Compound Name2-tert-butyl-6-chloro-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide
PubChem CID106895538
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name2-tert-butyl-6-chloro-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide
SMILESCC(C)(C)c1cc(C(=O)NCc2cccnn2)cc(Cl)n1
InChIInChI=1S/C15H17ClN4O/c1-15(2,3)12-7-10(8-13(16)19-12)14(21)17-9-11-5-4-6-18-20-11/h4-8H,9H2,1-3H3,(H,17,21)
InChIKeyINRHFWOVARWDLQ-UHFFFAOYSA-N
XLogP2.75
TPSA67.77 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.75
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

6-chloro-N-(pyridazin-3-ylmethyl)pyridine-3-carboxamide
CID 106832257
2-(ethylamino)-6-methyl-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide
CID 106897686
2-tert-butyl-6-chloro-N-(4-hydroxybutyl)pyridine-4-carboxamide
CID 106841535
2-tert-butyl-6-chloro-N-(1,2,4-triazin-3-yl)pyridine-4-carboxamide
CID 114387350
2-chloro-N-(pyridazin-3-ylmethyl)quinoline-4-carboxamide
CID 106832238
3-amino-5-methylsulfonyl-N-(pyridazin-3-ylmethyl)benzamide
CID 106894620
2-ethyl-6-hydrazinyl-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide
CID 106897765
2-tert-butyl-6-chloro-N-[[2-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-yl]methyl]pyridine-4-carboxamide
CID 166415965
5-iodo-N-(pyridazin-3-ylmethyl)thiophene-3-carboxamide
CID 106832300
6-bromo-N-(pyridazin-3-ylmethyl)naphthalene-2-carboxamide
CID 106832306
3-amino-5-fluoro-4-methyl-N-(pyridazin-3-ylmethyl)benzamide
CID 106894540
4-(aminomethyl)-N-(pyridazin-3-ylmethyl)benzamide
CID 106894633

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-6-chloro-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide?
The IUPAC name of 2-tert-butyl-6-chloro-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide (CID 106895538) is 2-tert-butyl-6-chloro-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide.
What is the SMILES notation for 2-tert-butyl-6-chloro-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide?
The canonical SMILES for 2-tert-butyl-6-chloro-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide is CC(C)(C)c1cc(C(=O)NCc2cccnn2)cc(Cl)n1.
What is the InChIKey of 2-tert-butyl-6-chloro-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide?
The InChIKey is INRHFWOVARWDLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-15(2,3)12-7-10(8-13(16)19-12)14(21)17-9-11-5-4-6-18-20-11/h4-8H,9H2,1-3H3,(H,17,21).
What are the key properties of 2-tert-butyl-6-chloro-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide?
2-tert-butyl-6-chloro-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 2.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-6-chloro-N-(pyridazin-3-ylmethyl)pyridine-4-carboxamide is sourced from PubChem (CID 106895538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).