N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide

C23H20Cl2N2O3 — CID 78104770

IUPACN-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NC2CCC(c3ccc(Cl)c(Cl)c3)c3ccccc32)c(O)c1=O
InChIInChI=1S/C23H20Cl2N2O3/c1-27-11-10-17(21(28)23(27)30)22(29)26-20-9-7-14(15-4-2-3-5-16(15)20)13-6-8-18(24)19(25)12-13/h2-6,8,10-12,14,20,28H,7,9H2,1H3,(H,26,29)
InChIKeyKCUKWNIEUFZBIS-UHFFFAOYSA-N
MW443.33 g/mol
LogP4.79
Rot. Bonds3

About N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide

N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide (PubChem CID 78104770) has the molecular formula C23H20Cl2N2O3 and a molecular weight of 443.33 g/mol. Its IUPAC name is N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
PubChem CID78104770
Molecular FormulaC23H20Cl2N2O3
Molecular Weight443.33 g/mol
Exact Mass442.09
IUPAC NameN-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide
SMILESCn1ccc(C(=O)NC2CCC(c3ccc(Cl)c(Cl)c3)c3ccccc32)c(O)c1=O
InChIInChI=1S/C23H20Cl2N2O3/c1-27-11-10-17(21(28)23(27)30)22(29)26-20-9-7-14(15-4-2-3-5-16(15)20)13-6-8-18(24)19(25)12-13/h2-6,8,10-12,14,20,28H,7,9H2,1H3,(H,26,29)
InChIKeyKCUKWNIEUFZBIS-UHFFFAOYSA-N
XLogP4.79
TPSA71.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.33
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The IUPAC name of N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide (CID 78104770) is N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide.
What is the SMILES notation for N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The canonical SMILES for N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide is Cn1ccc(C(=O)NC2CCC(c3ccc(Cl)c(Cl)c3)c3ccccc32)c(O)c1=O.
What is the InChIKey of N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
The InChIKey is KCUKWNIEUFZBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20Cl2N2O3/c1-27-11-10-17(21(28)23(27)30)22(29)26-20-9-7-14(15-4-2-3-5-16(15)20)13-6-8-18(24)19(25)12-13/h2-6,8,10-12,14,20,28H,7,9H2,1H3,(H,26,29).
What are the key properties of N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide?
N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide has a molecular weight of 443.33 g/mol, XLogP of 4.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydronaphthalen-1-yl]-3-hydroxy-1-methyl-2-oxopyridine-4-carboxamide is sourced from PubChem (CID 78104770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).