N-[5-[(3,4-dichlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide

C19H16Cl2N4O2 — CID 139521601

IUPACN-[5-[(3,4-dichlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(Cc3ccc(Cl)c(Cl)c3)cn2)ccc1=O
InChIInChI=1S/C19H16Cl2N4O2/c1-2-25-18(26)8-6-16(24-25)19(27)23-17-7-4-13(11-22-17)9-12-3-5-14(20)15(21)10-12/h3-8,10-11H,2,9H2,1H3,(H,22,23,27)
InChIKeyOHUBLJGQWFHEAE-UHFFFAOYSA-N
MW403.27 g/mol
LogP3.81
Rot. Bonds5

About N-[5-[(3,4-dichlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide

N-[5-[(3,4-dichlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide (PubChem CID 139521601) has the molecular formula C19H16Cl2N4O2 and a molecular weight of 403.27 g/mol. Its IUPAC name is N-[5-[(3,4-dichlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide.

Molecular Properties

Compound NameN-[5-[(3,4-dichlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide
PubChem CID139521601
Molecular FormulaC19H16Cl2N4O2
Molecular Weight403.27 g/mol
Exact Mass402.07
IUPAC NameN-[5-[(3,4-dichlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide
SMILESCCn1nc(C(=O)Nc2ccc(Cc3ccc(Cl)c(Cl)c3)cn2)ccc1=O
InChIInChI=1S/C19H16Cl2N4O2/c1-2-25-18(26)8-6-16(24-25)19(27)23-17-7-4-13(11-22-17)9-12-3-5-14(20)15(21)10-12/h3-8,10-11H,2,9H2,1H3,(H,22,23,27)
InChIKeyOHUBLJGQWFHEAE-UHFFFAOYSA-N
XLogP3.81
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.27
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(cyclopropylmethyl)-N-[5-[(3-fluorophenyl)methyl]-2-pyridinyl]-6-oxopyridazine-3-carboxamide
CID 139512605
N-[5-[[3-(difluoromethyl)-4-fluorophenyl]methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 139522097
5-[(4-fluorophenyl)methyl]-N-(1-methyl-6-oxopyridazin-3-yl)pyridine-2-carboxamide
CID 139522140
N-[5-[(3-chlorophenyl)methyl]-2-pyridinyl]-1,2-dimethyl-5-oxopyrazole-3-carboxamide
CID 167579005
N-[5-(aminomethyl)-2-pyridinyl]-1,3-diethylpyrazole-5-carboxamide
CID 66122725
N-[5-[(3-chlorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 155153066
N-(4-chlorophenyl)sulfonyl-1-ethyl-6-oxopyridazine-3-carboxamide
CID 56806878
1-ethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-6-oxopyridazine-3-carboxamide
CID 121066950
5-[(3,5-difluorophenyl)methyl]pyridin-2-amine;N-[5-[(3,5-difluorophenyl)methyl]-2-pyridinyl]-1-ethylpyrazole-3-carboxamide;1-ethylpyrazole-3-carboxylic acid;methane
CID 167541868
N-[5-[(3,4-difluorophenoxy)methyl]-2-pyridinyl]-1-methyl-6-oxopyridazine-3-carboxamide
CID 139521986
1-ethyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide
CID 121066938
N-[2-chloro-5-(methylcarbamoyl)phenyl]-6-oxo-1-propylpyridazine-3-carboxamide
CID 87004540

Frequently Asked Questions

What is the IUPAC name of N-[5-[(3,4-dichlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide?
The IUPAC name of N-[5-[(3,4-dichlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide (CID 139521601) is N-[5-[(3,4-dichlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide.
What is the SMILES notation for N-[5-[(3,4-dichlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide?
The canonical SMILES for N-[5-[(3,4-dichlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide is CCn1nc(C(=O)Nc2ccc(Cc3ccc(Cl)c(Cl)c3)cn2)ccc1=O.
What is the InChIKey of N-[5-[(3,4-dichlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide?
The InChIKey is OHUBLJGQWFHEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16Cl2N4O2/c1-2-25-18(26)8-6-16(24-25)19(27)23-17-7-4-13(11-22-17)9-12-3-5-14(20)15(21)10-12/h3-8,10-11H,2,9H2,1H3,(H,22,23,27).
What are the key properties of N-[5-[(3,4-dichlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide?
N-[5-[(3,4-dichlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide has a molecular weight of 403.27 g/mol, XLogP of 3.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(3,4-dichlorophenyl)methyl]-2-pyridinyl]-1-ethyl-6-oxopyridazine-3-carboxamide is sourced from PubChem (CID 139521601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).