2-[6-[(3-chlorophenyl)methyl]pyridazin-3-yl]-1-ethyl-6-oxopyridine-3-carboxamide

C19H17ClN4O2 — CID 175689016

IUPAC2-[6-[(3-chlorophenyl)methyl]pyridazin-3-yl]-1-ethyl-6-oxopyridine-3-carboxamide
SMILESCCn1c(-c2ccc(Cc3cccc(Cl)c3)nn2)c(C(N)=O)ccc1=O
InChIInChI=1S/C19H17ClN4O2/c1-2-24-17(25)9-7-15(19(21)26)18(24)16-8-6-14(22-23-16)11-12-4-3-5-13(20)10-12/h3-10H,2,11H2,1H3,(H2,21,26)
InChIKeyNHGCKDKIOHYASJ-UHFFFAOYSA-N
MW368.82 g/mol
LogP2.67
Rot. Bonds5

About 2-[6-[(3-chlorophenyl)methyl]pyridazin-3-yl]-1-ethyl-6-oxopyridine-3-carboxamide

2-[6-[(3-chlorophenyl)methyl]pyridazin-3-yl]-1-ethyl-6-oxopyridine-3-carboxamide (PubChem CID 175689016) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is 2-[6-[(3-chlorophenyl)methyl]pyridazin-3-yl]-1-ethyl-6-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name2-[6-[(3-chlorophenyl)methyl]pyridazin-3-yl]-1-ethyl-6-oxopyridine-3-carboxamide
PubChem CID175689016
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC Name2-[6-[(3-chlorophenyl)methyl]pyridazin-3-yl]-1-ethyl-6-oxopyridine-3-carboxamide
SMILESCCn1c(-c2ccc(Cc3cccc(Cl)c3)nn2)c(C(N)=O)ccc1=O
InChIInChI=1S/C19H17ClN4O2/c1-2-24-17(25)9-7-15(19(21)26)18(24)16-8-6-14(22-23-16)11-12-4-3-5-13(20)10-12/h3-10H,2,11H2,1H3,(H2,21,26)
InChIKeyNHGCKDKIOHYASJ-UHFFFAOYSA-N
XLogP2.67
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3-chlorophenyl)methyl]pyridazin-3-yl]-1-ethyl-6-oxopyridine-3-carboxamide?
The IUPAC name of 2-[6-[(3-chlorophenyl)methyl]pyridazin-3-yl]-1-ethyl-6-oxopyridine-3-carboxamide (CID 175689016) is 2-[6-[(3-chlorophenyl)methyl]pyridazin-3-yl]-1-ethyl-6-oxopyridine-3-carboxamide.
What is the SMILES notation for 2-[6-[(3-chlorophenyl)methyl]pyridazin-3-yl]-1-ethyl-6-oxopyridine-3-carboxamide?
The canonical SMILES for 2-[6-[(3-chlorophenyl)methyl]pyridazin-3-yl]-1-ethyl-6-oxopyridine-3-carboxamide is CCn1c(-c2ccc(Cc3cccc(Cl)c3)nn2)c(C(N)=O)ccc1=O.
What is the InChIKey of 2-[6-[(3-chlorophenyl)methyl]pyridazin-3-yl]-1-ethyl-6-oxopyridine-3-carboxamide?
The InChIKey is NHGCKDKIOHYASJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-2-24-17(25)9-7-15(19(21)26)18(24)16-8-6-14(22-23-16)11-12-4-3-5-13(20)10-12/h3-10H,2,11H2,1H3,(H2,21,26).
What are the key properties of 2-[6-[(3-chlorophenyl)methyl]pyridazin-3-yl]-1-ethyl-6-oxopyridine-3-carboxamide?
2-[6-[(3-chlorophenyl)methyl]pyridazin-3-yl]-1-ethyl-6-oxopyridine-3-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3-chlorophenyl)methyl]pyridazin-3-yl]-1-ethyl-6-oxopyridine-3-carboxamide is sourced from PubChem (CID 175689016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).