6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridazine-3-carboxamide

C17H14ClN5O — CID 133364201

IUPAC6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NC(c2cccc(Cl)c2)c2ccccn2)nn1
InChIInChI=1S/C17H14ClN5O/c18-12-5-3-4-11(10-12)16(13-6-1-2-9-20-13)21-15-8-7-14(17(19)24)22-23-15/h1-10,16H,(H2,19,24)(H,21,23)
InChIKeySHNYFJCNICLBGY-UHFFFAOYSA-N
MW339.79 g/mol
LogP2.83
Rot. Bonds5

About 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridazine-3-carboxamide

6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridazine-3-carboxamide (PubChem CID 133364201) has the molecular formula C17H14ClN5O and a molecular weight of 339.79 g/mol. Its IUPAC name is 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridazine-3-carboxamide
PubChem CID133364201
Molecular FormulaC17H14ClN5O
Molecular Weight339.79 g/mol
Exact Mass339.09
IUPAC Name6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridazine-3-carboxamide
SMILESNC(=O)c1ccc(NC(c2cccc(Cl)c2)c2ccccn2)nn1
InChIInChI=1S/C17H14ClN5O/c18-12-5-3-4-11(10-12)16(13-6-1-2-9-20-13)21-15-8-7-14(17(19)24)22-23-15/h1-10,16H,(H2,19,24)(H,21,23)
InChIKeySHNYFJCNICLBGY-UHFFFAOYSA-N
XLogP2.83
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.79
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridine-3-carboxylate
CID 133364083
6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-propylpyridine-3-carboxamide
CID 133364093
N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-methyl-5-nitropyridin-2-amine
CID 133364013
6-[[(2R)-2-(3-chlorophenyl)-2-methylsulfanylethyl]amino]pyridazine-3-carboxamide
CID 96520494
N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-6-nitroquinolin-2-amine
CID 133364023
N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
CID 133364190
4-amino-N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-3-methoxybutanamide
CID 120597413
N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-5-methyl-1H-pyrazole-4-carboxamide
CID 97066368
N-(oxan-4-yl)-6-[[phenyl(pyridin-2-yl)methyl]amino]pyridazine-3-carboxamide
CID 133382565
2-[[(R)-(3-chlorophenyl)-pyridin-2-ylmethyl]amino]-N-(cyanomethyl)acetamide
CID 96542751
N-[(3-chlorophenyl)-pyridin-2-ylmethyl]-4-fluoro-2-nitroaniline
CID 133364043
(2R)-N-[(S)-(3-chlorophenyl)-pyridin-2-ylmethyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
CID 97227060

Frequently Asked Questions

What is the IUPAC name of 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridazine-3-carboxamide?
The IUPAC name of 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridazine-3-carboxamide (CID 133364201) is 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridazine-3-carboxamide?
The canonical SMILES for 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridazine-3-carboxamide is NC(=O)c1ccc(NC(c2cccc(Cl)c2)c2ccccn2)nn1.
What is the InChIKey of 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridazine-3-carboxamide?
The InChIKey is SHNYFJCNICLBGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN5O/c18-12-5-3-4-11(10-12)16(13-6-1-2-9-20-13)21-15-8-7-14(17(19)24)22-23-15/h1-10,16H,(H2,19,24)(H,21,23).
What are the key properties of 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridazine-3-carboxamide?
6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridazine-3-carboxamide has a molecular weight of 339.79 g/mol, XLogP of 2.83, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(3-chlorophenyl)-pyridin-2-ylmethyl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 133364201), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).