N-(6-methyl-2-pyridinyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

C20H22N2O2 — CID 16573467

IUPACN-(6-methyl-2-pyridinyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESCc1cccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C20H22N2O2/c1-14-5-4-8-19(21-14)22-20(24)12-11-18(23)17-10-9-15-6-2-3-7-16(15)13-17/h4-5,8-10,13H,2-3,6-7,11-12H2,1H3,(H,21,22,24)
InChIKeyPITNQQCHFAYFEK-UHFFFAOYSA-N
MW322.41 g/mol
LogP3.87
Rot. Bonds5

About N-(6-methyl-2-pyridinyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide

N-(6-methyl-2-pyridinyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (PubChem CID 16573467) has the molecular formula C20H22N2O2 and a molecular weight of 322.41 g/mol. Its IUPAC name is N-(6-methyl-2-pyridinyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.

Molecular Properties

Compound NameN-(6-methyl-2-pyridinyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
PubChem CID16573467
Molecular FormulaC20H22N2O2
Molecular Weight322.41 g/mol
Exact Mass322.17
IUPAC NameN-(6-methyl-2-pyridinyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
SMILESCc1cccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)n1
InChIInChI=1S/C20H22N2O2/c1-14-5-4-8-19(21-14)22-20(24)12-11-18(23)17-10-9-15-6-2-3-7-16(15)13-17/h4-5,8-10,13H,2-3,6-7,11-12H2,1H3,(H,21,22,24)
InChIKeyPITNQQCHFAYFEK-UHFFFAOYSA-N
XLogP3.87
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylsulfanylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9179823
N-(5,6-dimethyl-[1,3]thiazolo[3,2-b][1,2,4]triazol-2-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 108727703
N-(4-iodo-2-methylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 108795653
4-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzamide
CID 9441784
N-[2-[2-(methylamino)-2-oxoethyl]phenyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 55924559
4-(2,3-dihydro-1H-inden-5-yl)-N-[3-[(2-methoxyacetyl)amino]phenyl]-4-oxobutanamide
CID 55585146
methyl 4-methyl-3-[[4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanoyl]amino]benzoate
CID 9495176
N-[(2-methylphenyl)methyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9104253
N-(2-methoxy-5-methylphenyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 9215408
N-[2-(ethylaminomethyl)phenyl]-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 119440729
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide
CID 33040772
4-(2,3-dihydro-1H-inden-5-yl)-4-oxo-N-prop-2-ynylbutanamide
CID 30602319

Frequently Asked Questions

What is the IUPAC name of N-(6-methyl-2-pyridinyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The IUPAC name of N-(6-methyl-2-pyridinyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide (CID 16573467) is N-(6-methyl-2-pyridinyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide.
What is the SMILES notation for N-(6-methyl-2-pyridinyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The canonical SMILES for N-(6-methyl-2-pyridinyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is Cc1cccc(NC(=O)CCC(=O)c2ccc3c(c2)CCCC3)n1.
What is the InChIKey of N-(6-methyl-2-pyridinyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
The InChIKey is PITNQQCHFAYFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2/c1-14-5-4-8-19(21-14)22-20(24)12-11-18(23)17-10-9-15-6-2-3-7-16(15)13-17/h4-5,8-10,13H,2-3,6-7,11-12H2,1H3,(H,21,22,24).
What are the key properties of N-(6-methyl-2-pyridinyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide?
N-(6-methyl-2-pyridinyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide has a molecular weight of 322.41 g/mol, XLogP of 3.87, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-methyl-2-pyridinyl)-4-oxo-4-(5,6,7,8-tetrahydronaphthalen-2-yl)butanamide is sourced from PubChem (CID 16573467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).