N-[(4-chlorophenyl)methyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide

C16H14ClN5O2 — CID 109119955

IUPACN-[(4-chlorophenyl)methyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
SMILESCc1cc(Nc2ccc(C(=O)NCc3ccc(Cl)cc3)nn2)no1
InChIInChI=1S/C16H14ClN5O2/c1-10-8-15(22-24-10)19-14-7-6-13(20-21-14)16(23)18-9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H,18,23)(H,19,21,22)
InChIKeyUMFTZCHOSQGNIB-UHFFFAOYSA-N
MW343.77 g/mol
LogP3.10
Rot. Bonds5

About N-[(4-chlorophenyl)methyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide

N-[(4-chlorophenyl)methyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide (PubChem CID 109119955) has the molecular formula C16H14ClN5O2 and a molecular weight of 343.77 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
PubChem CID109119955
Molecular FormulaC16H14ClN5O2
Molecular Weight343.77 g/mol
Exact Mass343.08
IUPAC NameN-[(4-chlorophenyl)methyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
SMILESCc1cc(Nc2ccc(C(=O)NCc3ccc(Cl)cc3)nn2)no1
InChIInChI=1S/C16H14ClN5O2/c1-10-8-15(22-24-10)19-14-7-6-13(20-21-14)16(23)18-9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H,18,23)(H,19,21,22)
InChIKeyUMFTZCHOSQGNIB-UHFFFAOYSA-N
XLogP3.10
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.77
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(4-chlorophenyl)methyl]-2-methyl-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidine-4-carboxamide
CID 109370199
6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-3-ylmethyl)pyridazine-3-carboxamide
CID 109121227
N-[2-(4-fluorophenyl)ethyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
CID 109122203
N-[(4-chlorophenyl)methyl]-6-(4-methoxyanilino)pyridazine-3-carboxamide
CID 109119926
N-(5-methyl-1,2-oxazol-3-yl)-6-[(4-methylphenyl)methylamino]pyridazine-3-carboxamide
CID 109118580
N-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
CID 109130413
N-[(4-chlorophenyl)methyl]-6-(2-fluoroanilino)pyridazine-3-carboxamide
CID 109119919
N-benzyl-6-(5-chloro-2-methylanilino)pyridazine-3-carboxamide
CID 109117923
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(pyridin-4-ylmethyl)pyridine-2-carboxamide
CID 109191596
6-(3-chloroanilino)-N-[(4-methoxyphenyl)methyl]pyridazine-3-carboxamide
CID 109120311
N-[(4-chlorophenyl)methyl]-6-(3-methoxypropylamino)pyridazine-3-carboxamide
CID 109114103
N-[(3,4-dimethoxyphenyl)methyl]-5-[(5-methyl-1,2-oxazol-3-yl)amino]pyrazine-2-carboxamide
CID 109285912

Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide (CID 109119955) is N-[(4-chlorophenyl)methyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide is Cc1cc(Nc2ccc(C(=O)NCc3ccc(Cl)cc3)nn2)no1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide?
The InChIKey is UMFTZCHOSQGNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN5O2/c1-10-8-15(22-24-10)19-14-7-6-13(20-21-14)16(23)18-9-11-2-4-12(17)5-3-11/h2-8H,9H2,1H3,(H,18,23)(H,19,21,22).
What are the key properties of N-[(4-chlorophenyl)methyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide?
N-[(4-chlorophenyl)methyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide has a molecular weight of 343.77 g/mol, XLogP of 3.10, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide is sourced from PubChem (CID 109119955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).