N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

C17H21N3O — CID 90649095

IUPACN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCc1cnc(CN(C)C(=O)c2ccc3c(c2)CCCC3)[nH]1
InChIInChI=1S/C17H21N3O/c1-12-10-18-16(19-12)11-20(2)17(21)15-8-7-13-5-3-4-6-14(13)9-15/h7-10H,3-6,11H2,1-2H3,(H,18,19)
InChIKeyPACGCYGKNDWOIU-UHFFFAOYSA-N
MW283.38 g/mol
LogP2.87
Rot. Bonds3

About N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide

N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (PubChem CID 90649095) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.

Molecular Properties

Compound NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
PubChem CID90649095
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC NameN-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
SMILESCc1cnc(CN(C)C(=O)c2ccc3c(c2)CCCC3)[nH]1
InChIInChI=1S/C17H21N3O/c1-12-10-18-16(19-12)11-20(2)17(21)15-8-7-13-5-3-4-6-14(13)9-15/h7-10H,3-6,11H2,1-2H3,(H,18,19)
InChIKeyPACGCYGKNDWOIU-UHFFFAOYSA-N
XLogP2.87
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(2-hydroxypropyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 62334420
N-(2-hydroxyethyl)-N-methyl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60740767
N-[4-[2,3-dihydro-1H-indene-5-carbonyl(methyl)amino]butyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 86971881
N,5-dimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrazine-2-carboxamide
CID 77082230
N-[(2-aminophenyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 43458378
1-(4-hydroxycyclohexyl)-N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-2-oxo-3H-benzimidazole-5-carboxamide
CID 70771618
N,2,6-trimethyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]pyrimidine-4-carboxamide
CID 131931862
N-methyl-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706328
N-[(4-oxo-3H-quinazolin-2-yl)methyl]-N-propan-2-yl-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 137296684
N-methyl-N-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 100706341
N-[(3-bromocyclobutyl)methyl]-N-methyl-2,3-dihydro-1H-indene-5-carboxamide
CID 80672016
N-(1H-imidazol-2-ylmethyl)-N-methyl-2,3-dihydro-1H-isoindole-5-carboxamide
CID 103999017

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The IUPAC name of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide (CID 90649095) is N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide.
What is the SMILES notation for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The canonical SMILES for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is Cc1cnc(CN(C)C(=O)c2ccc3c(c2)CCCC3)[nH]1.
What is the InChIKey of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
The InChIKey is PACGCYGKNDWOIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-12-10-18-16(19-12)11-20(2)17(21)15-8-7-13-5-3-4-6-14(13)9-15/h7-10H,3-6,11H2,1-2H3,(H,18,19).
What are the key properties of N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide?
N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 2.87, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(5-methyl-1H-imidazol-2-yl)methyl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide is sourced from PubChem (CID 90649095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).