N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide

C19H17ClN4O2 — CID 139521462

IUPACN-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)ccc1=O
InChIInChI=1S/C19H17ClN4O2/c1-2-24-18(25)9-7-16(23-24)19(26)22-17-8-6-14(12-21-17)10-13-4-3-5-15(20)11-13/h3-9,11-12H,2,10H2,1H3,(H,21,22,26)
InChIKeyZIFLRFHAOHCJGF-UHFFFAOYSA-N
MW368.82 g/mol
LogP3.15
Rot. Bonds5

About N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide

N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide (PubChem CID 139521462) has the molecular formula C19H17ClN4O2 and a molecular weight of 368.82 g/mol. Its IUPAC name is N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide
PubChem CID139521462
Molecular FormulaC19H17ClN4O2
Molecular Weight368.82 g/mol
Exact Mass368.10
IUPAC NameN-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)ccc1=O
InChIInChI=1S/C19H17ClN4O2/c1-2-24-18(25)9-7-16(23-24)19(26)22-17-8-6-14(12-21-17)10-13-4-3-5-15(20)11-13/h3-9,11-12H,2,10H2,1H3,(H,21,22,26)
InChIKeyZIFLRFHAOHCJGF-UHFFFAOYSA-N
XLogP3.15
TPSA76.88 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 ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide (CID 139521462) is N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide is CCn1nc(C(=O)Nc2ccc(Cc3cccc(Cl)c3)cn2)ccc1=O.
What is the InChIKey of N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide?
The InChIKey is ZIFLRFHAOHCJGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN4O2/c1-2-24-18(25)9-7-16(23-24)19(26)22-17-8-6-14(12-21-17)10-13-4-3-5-15(20)11-13/h3-9,11-12H,2,10H2,1H3,(H,21,22,26).
What are the key properties of N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide?
N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide has a molecular weight of 368.82 g/mol, XLogP of 3.15, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 139521462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).