N-(6-chloropyridazin-3-yl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide

C18H16ClN3O4 — CID 21048194

IUPACN-(6-chloropyridazin-3-yl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(OC)c(Cc2ccc(C(=O)Nc3ccc(Cl)nn3)o2)c1
InChIInChI=1S/C18H16ClN3O4/c1-24-12-3-5-14(25-2)11(9-12)10-13-4-6-15(26-13)18(23)20-17-8-7-16(19)21-22-17/h3-9H,10H2,1-2H3,(H,20,22,23)
InChIKeyNGZFKDXKDNGUDD-UHFFFAOYSA-N
MW373.80 g/mol
LogP3.58
Rot. Bonds6

About N-(6-chloropyridazin-3-yl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide

N-(6-chloropyridazin-3-yl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide (PubChem CID 21048194) has the molecular formula C18H16ClN3O4 and a molecular weight of 373.80 g/mol. Its IUPAC name is N-(6-chloropyridazin-3-yl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-(6-chloropyridazin-3-yl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
PubChem CID21048194
Molecular FormulaC18H16ClN3O4
Molecular Weight373.80 g/mol
Exact Mass373.08
IUPAC NameN-(6-chloropyridazin-3-yl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
SMILESCOc1ccc(OC)c(Cc2ccc(C(=O)Nc3ccc(Cl)nn3)o2)c1
InChIInChI=1S/C18H16ClN3O4/c1-24-12-3-5-14(25-2)11(9-12)10-13-4-6-15(26-13)18(23)20-17-8-7-16(19)21-22-17/h3-9H,10H2,1-2H3,(H,20,22,23)
InChIKeyNGZFKDXKDNGUDD-UHFFFAOYSA-N
XLogP3.58
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.80
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(4-chlorophenoxy)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047813
N-(3-chloro-4-methoxyphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047655
5-[(2,5-dimethoxyphenyl)methyl]-N-(2-methoxyphenyl)furan-2-carboxamide
CID 21045960
N-(2-carbamoylphenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047265
N-(6-chloropyridazin-3-yl)-2,5-dimethoxybenzamide
CID 115608605
5-[(2,5-dimethoxyphenyl)methyl]-N-[(4-methoxyphenyl)methyl]furan-2-carboxamide
CID 21046025
N-(3-acetamidophenyl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047625
5-[(2,5-dimethoxyphenyl)methyl]-N-(3-methyl-2-pyridinyl)furan-2-carboxamide
CID 21045991
N-[2,6-dichloro-4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide
CID 21047196
5-[(2,5-dimethoxyphenyl)methyl]-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)furan-2-carboxamide
CID 21045924
ethyl 2-[2-[[5-[(2,5-dimethoxyphenyl)methyl]furan-2-carbonyl]amino]-1,3-thiazol-4-yl]acetate
CID 21046465
5-[(2,5-dimethoxyphenyl)methyl]-N-(6-nitro-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 21046058

Frequently Asked Questions

What is the IUPAC name of N-(6-chloropyridazin-3-yl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide?
The IUPAC name of N-(6-chloropyridazin-3-yl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide (CID 21048194) is N-(6-chloropyridazin-3-yl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide.
What is the SMILES notation for N-(6-chloropyridazin-3-yl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide?
The canonical SMILES for N-(6-chloropyridazin-3-yl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide is COc1ccc(OC)c(Cc2ccc(C(=O)Nc3ccc(Cl)nn3)o2)c1.
What is the InChIKey of N-(6-chloropyridazin-3-yl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide?
The InChIKey is NGZFKDXKDNGUDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O4/c1-24-12-3-5-14(25-2)11(9-12)10-13-4-6-15(26-13)18(23)20-17-8-7-16(19)21-22-17/h3-9H,10H2,1-2H3,(H,20,22,23).
What are the key properties of N-(6-chloropyridazin-3-yl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide?
N-(6-chloropyridazin-3-yl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide has a molecular weight of 373.80 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloropyridazin-3-yl)-5-[(2,5-dimethoxyphenyl)methyl]furan-2-carboxamide is sourced from PubChem (CID 21048194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).