N-[(4-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide

C18H15ClN4O2 — CID 59017996

IUPACN-[(4-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)[nH]n2)ccn1
InChIInChI=1S/C18H15ClN4O2/c1-11-8-13(6-7-20-11)16-9-15(18(25)23-22-16)17(24)21-10-12-2-4-14(19)5-3-12/h2-9H,10H2,1H3,(H,21,24)(H,23,25)
InChIKeyZDMWUKPETMIZRY-UHFFFAOYSA-N
MW354.80 g/mol
LogP2.72
Rot. Bonds4

About N-[(4-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide

N-[(4-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide (PubChem CID 59017996) has the molecular formula C18H15ClN4O2 and a molecular weight of 354.80 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide
PubChem CID59017996
Molecular FormulaC18H15ClN4O2
Molecular Weight354.80 g/mol
Exact Mass354.09
IUPAC NameN-[(4-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide
SMILESCc1cc(-c2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)[nH]n2)ccn1
InChIInChI=1S/C18H15ClN4O2/c1-11-8-13(6-7-20-11)16-9-15(18(25)23-22-16)17(24)21-10-12-2-4-14(19)5-3-12/h2-9H,10H2,1H3,(H,21,24)(H,23,25)
InChIKeyZDMWUKPETMIZRY-UHFFFAOYSA-N
XLogP2.72
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.80
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide?
The IUPAC name of N-[(4-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide (CID 59017996) is N-[(4-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide is Cc1cc(-c2cc(C(=O)NCc3ccc(Cl)cc3)c(=O)[nH]n2)ccn1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide?
The InChIKey is ZDMWUKPETMIZRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN4O2/c1-11-8-13(6-7-20-11)16-9-15(18(25)23-22-16)17(24)21-10-12-2-4-14(19)5-3-12/h2-9H,10H2,1H3,(H,21,24)(H,23,25).
What are the key properties of N-[(4-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide?
N-[(4-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide has a molecular weight of 354.80 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-3-(2-methyl-4-pyridinyl)-6-oxo-1H-pyridazine-5-carboxamide is sourced from PubChem (CID 59017996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).