N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide

C20H20N4O — CID 97131739

IUPACN-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCN(C(=O)c1ccccc1-c1ncn[nH]1)[C@H]1CCCc2ccccc21
InChIInChI=1S/C20H20N4O/c1-24(18-12-6-8-14-7-2-3-9-15(14)18)20(25)17-11-5-4-10-16(17)19-21-13-22-23-19/h2-5,7,9-11,13,18H,6,8,12H2,1H3,(H,21,22,23)/t18-/m0/s1
InChIKeyHJJYVRJILDJNJK-SFHVURJKSA-N
MW332.41 g/mol
LogP3.62
Rot. Bonds3

About N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide

N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide (PubChem CID 97131739) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide
PubChem CID97131739
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC NameN-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide
SMILESCN(C(=O)c1ccccc1-c1ncn[nH]1)[C@H]1CCCc2ccccc21
InChIInChI=1S/C20H20N4O/c1-24(18-12-6-8-14-7-2-3-9-15(14)18)20(25)17-11-5-4-10-16(17)19-21-13-22-23-19/h2-5,7,9-11,13,18H,6,8,12H2,1H3,(H,21,22,23)/t18-/m0/s1
InChIKeyHJJYVRJILDJNJK-SFHVURJKSA-N
XLogP3.62
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 134791703
N,6-dimethyl-2-oxo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyridine-3-carboxamide
CID 86768777
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 42916496
N,6-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide
CID 31121176
N,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42884040
5-(3-methoxyphenyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrazole-4-carboxamide
CID 70734926
5-(3-methoxyphenyl)-N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-1H-pyrazole-4-carboxamide
CID 97125613
N-(2,3-dihydro-1H-inden-1-yl)-2-fluoro-N-methylpyridine-3-carboxamide
CID 107358584
5-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide
CID 107371805
4-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide
CID 61107600
2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 103754184
6-(2-hydroxyethyl)-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 74233515

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The IUPAC name of N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide (CID 97131739) is N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide.
What is the SMILES notation for N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The canonical SMILES for N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide is CN(C(=O)c1ccccc1-c1ncn[nH]1)[C@H]1CCCc2ccccc21.
What is the InChIKey of N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
The InChIKey is HJJYVRJILDJNJK-SFHVURJKSA-N. The full InChI is InChI=1S/C20H20N4O/c1-24(18-12-6-8-14-7-2-3-9-15(14)18)20(25)17-11-5-4-10-16(17)19-21-13-22-23-19/h2-5,7,9-11,13,18H,6,8,12H2,1H3,(H,21,22,23)/t18-/m0/s1.
What are the key properties of N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide?
N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide has a molecular weight of 332.41 g/mol, XLogP of 3.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]-2-(1H-1,2,4-triazol-5-yl)benzamide is sourced from PubChem (CID 97131739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).