2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyridin-3-ylbenzamide

C25H22N2O — CID 165116197

IUPAC2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyridin-3-ylbenzamide
SMILESCc1ccc(-c2cccnc2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C25H22N2O/c1-17-12-13-20(21-9-6-14-26-16-21)15-24(17)25(28)27-18(2)22-11-5-8-19-7-3-4-10-23(19)22/h3-16,18H,1-2H3,(H,27,28)/t18-/m1/s1
InChIKeyGJBCVRRBGIPALP-GOSISDBHSA-N
MW366.46 g/mol
LogP5.70
Rot. Bonds4

About 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyridin-3-ylbenzamide

2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyridin-3-ylbenzamide (PubChem CID 165116197) has the molecular formula C25H22N2O and a molecular weight of 366.46 g/mol. Its IUPAC name is 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyridin-3-ylbenzamide.

Molecular Properties

Compound Name2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyridin-3-ylbenzamide
PubChem CID165116197
Molecular FormulaC25H22N2O
Molecular Weight366.46 g/mol
Exact Mass366.17
IUPAC Name2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyridin-3-ylbenzamide
SMILESCc1ccc(-c2cccnc2)cc1C(=O)N[C@H](C)c1cccc2ccccc12
InChIInChI=1S/C25H22N2O/c1-17-12-13-20(21-9-6-14-26-16-21)15-24(17)25(28)27-18(2)22-11-5-8-19-7-3-4-10-23(19)22/h3-16,18H,1-2H3,(H,27,28)/t18-/m1/s1
InChIKeyGJBCVRRBGIPALP-GOSISDBHSA-N
XLogP5.70
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.46
LogP ≤ 55.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-phenylbenzamide
CID 165115788
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzamide
CID 165116052
N-(1-naphthalen-1-ylethyl)naphthalene-1-carboxamide
CID 593320
5-[[2-(dimethylamino)-2-methylpropyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231513
5-(benzylcarbamoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231845
5-[[(2S)-2,3-diaminopropanoyl]amino]-2-methyl-N-[(1S)-1-naphthalen-1-ylethyl]benzamide
CID 163231879
N'-(1-naphthalen-1-ylethyl)-N-[(1S)-1-naphthalen-1-ylethyl]oxamide
CID 90809930
2-[[(1R)-1-naphthalen-1-ylethyl]carbamoyl]benzoic acid
CID 853685
5-(4-aminobutanoylamino)-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231625
5-[(5-amino-4-methylthiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231572
5-[[(2S)-2,3-diacetamidopropanoyl]amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231632
5-[(5-aminothiophen-2-yl)amino]-2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]benzamide
CID 163231797

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyridin-3-ylbenzamide?
The IUPAC name of 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyridin-3-ylbenzamide (CID 165116197) is 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyridin-3-ylbenzamide.
What is the SMILES notation for 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyridin-3-ylbenzamide?
The canonical SMILES for 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyridin-3-ylbenzamide is Cc1ccc(-c2cccnc2)cc1C(=O)N[C@H](C)c1cccc2ccccc12.
What is the InChIKey of 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyridin-3-ylbenzamide?
The InChIKey is GJBCVRRBGIPALP-GOSISDBHSA-N. The full InChI is InChI=1S/C25H22N2O/c1-17-12-13-20(21-9-6-14-26-16-21)15-24(17)25(28)27-18(2)22-11-5-8-19-7-3-4-10-23(19)22/h3-16,18H,1-2H3,(H,27,28)/t18-/m1/s1.
What are the key properties of 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyridin-3-ylbenzamide?
2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyridin-3-ylbenzamide has a molecular weight of 366.46 g/mol, XLogP of 5.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(1R)-1-naphthalen-1-ylethyl]-5-pyridin-3-ylbenzamide is sourced from PubChem (CID 165116197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).