N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-3-methylpyridine-2-carboxamide

C23H20N2O — CID 151165666

IUPACN-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1ccc(-c2cccc3c2C=CCC3)cc1
InChIInChI=1S/C23H20N2O/c1-16-6-5-15-24-22(16)23(26)25-19-13-11-18(12-14-19)21-10-4-8-17-7-2-3-9-20(17)21/h3-6,8-15H,2,7H2,1H3,(H,25,26)
InChIKeyNBEPYBIRIGOIMK-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.27
Rot. Bonds3

About N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-3-methylpyridine-2-carboxamide

N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-3-methylpyridine-2-carboxamide (PubChem CID 151165666) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-3-methylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-3-methylpyridine-2-carboxamide
PubChem CID151165666
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC NameN-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-3-methylpyridine-2-carboxamide
SMILESCc1cccnc1C(=O)Nc1ccc(-c2cccc3c2C=CCC3)cc1
InChIInChI=1S/C23H20N2O/c1-16-6-5-15-24-22(16)23(26)25-19-13-11-18(12-14-19)21-10-4-8-17-7-2-3-9-20(17)21/h3-6,8-15H,2,7H2,1H3,(H,25,26)
InChIKeyNBEPYBIRIGOIMK-UHFFFAOYSA-N
XLogP5.27
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-2-methylsulfanylbenzamide
CID 150439453
N-(4-iodophenyl)-3-methylpyridine-2-carboxamide
CID 62339482
N-[4-[(cyclopropylamino)methyl]phenyl]-3-methylpyridine-2-carboxamide
CID 106910544
3-methyl-N-[4-(sulfamoylmethyl)phenyl]pyridine-2-carboxamide
CID 62340011
N-(4-bromo-3-methylphenyl)-3-methylpyridine-2-carboxamide
CID 62338956
N-(6-bromo-3-pyridinyl)-3-methylpyridine-2-carboxamide
CID 103789491
N-[4-(4,5-dimethylimidazol-1-yl)phenyl]-3-methylpyridine-2-carboxamide
CID 166215509
N-[3-[(2,6-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]-3-phenylpyridine-2-carboxamide
CID 168786153
3-methyl-N-[3-(methylaminomethyl)phenyl]pyridine-2-carboxamide
CID 55060469
3-methyl-N-(3-methyl-4-sulfamoylphenyl)pyridine-2-carboxamide
CID 62339318
3-methyl-2-[(3-methylpyridine-2-carbonyl)amino]benzoic acid
CID 62340624
2-[(4-methylphenyl)carbamoyl]pyridine-3-carboxylate
CID 6920825

Frequently Asked Questions

What is the IUPAC name of N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-3-methylpyridine-2-carboxamide?
The IUPAC name of N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-3-methylpyridine-2-carboxamide (CID 151165666) is N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-3-methylpyridine-2-carboxamide.
What is the SMILES notation for N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-3-methylpyridine-2-carboxamide?
The canonical SMILES for N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-3-methylpyridine-2-carboxamide is Cc1cccnc1C(=O)Nc1ccc(-c2cccc3c2C=CCC3)cc1.
What is the InChIKey of N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-3-methylpyridine-2-carboxamide?
The InChIKey is NBEPYBIRIGOIMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-16-6-5-15-24-22(16)23(26)25-19-13-11-18(12-14-19)21-10-4-8-17-7-2-3-9-20(17)21/h3-6,8-15H,2,7H2,1H3,(H,25,26).
What are the key properties of N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-3-methylpyridine-2-carboxamide?
N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-3-methylpyridine-2-carboxamide has a molecular weight of 340.43 g/mol, XLogP of 5.27, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5,6-dihydronaphthalen-1-yl)phenyl]-3-methylpyridine-2-carboxamide is sourced from PubChem (CID 151165666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).