N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide

C22H24N4O — CID 124841815

IUPACN-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide
SMILESCCc1ccc(Cn2nnc(C(=O)N[C@H]3CCc4ccccc43)c2C)cc1
InChIInChI=1S/C22H24N4O/c1-3-16-8-10-17(11-9-16)14-26-15(2)21(24-25-26)22(27)23-20-13-12-18-6-4-5-7-19(18)20/h4-11,20H,3,12-14H2,1-2H3,(H,23,27)/t20-/m0/s1
InChIKeyBDSWQDHVBNXZRW-FQEVSTJZSA-N
MW360.46 g/mol
LogP3.61
Rot. Bonds5

About N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide

N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide (PubChem CID 124841815) has the molecular formula C22H24N4O and a molecular weight of 360.46 g/mol. Its IUPAC name is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide
PubChem CID124841815
Molecular FormulaC22H24N4O
Molecular Weight360.46 g/mol
Exact Mass360.20
IUPAC NameN-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide
SMILESCCc1ccc(Cn2nnc(C(=O)N[C@H]3CCc4ccccc43)c2C)cc1
InChIInChI=1S/C22H24N4O/c1-3-16-8-10-17(11-9-16)14-26-15(2)21(24-25-26)22(27)23-20-13-12-18-6-4-5-7-19(18)20/h4-11,20H,3,12-14H2,1-2H3,(H,23,27)/t20-/m0/s1
InChIKeyBDSWQDHVBNXZRW-FQEVSTJZSA-N
XLogP3.61
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(4-ethylphenyl)methyl]-5-methyl-N-[(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]triazole-4-carboxamide
CID 124846537
N-(2,3-dihydro-1H-inden-1-yl)-5-methyl-1-piperidin-4-yltriazole-4-carboxamide;hydrochloride
CID 119696980
1-benzyl-N-(2,3-dihydro-1H-inden-1-yl)-5-ethylpyrazole-4-carboxamide
CID 78873081
3,5-dimethyl-1-[(4-methylphenyl)methyl]-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 42978287
1-benzyl-3,5-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 2505985
1-benzyl-3,5-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazole-4-carboxamide
CID 4879142
1-benzyl-5-chloro-3-methyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazole-4-carboxamide
CID 2567145
3-benzyl-4-oxo-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]phthalazine-1-carboxamide
CID 2472792
2-chloro-N-[(1S)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288569
2-chloro-N-[(1R)-2,3-dihydro-1H-inden-1-yl]benzamide
CID 26288568
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-3-ethyl-6,7-dimethoxy-4-oxophthalazine-1-carboxamide
CID 140606612
5-ethyl-2-methyl-1-phenyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)imidazole-4-carboxamide
CID 143277469

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide?
The IUPAC name of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide (CID 124841815) is N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide.
What is the SMILES notation for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide?
The canonical SMILES for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide is CCc1ccc(Cn2nnc(C(=O)N[C@H]3CCc4ccccc43)c2C)cc1.
What is the InChIKey of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide?
The InChIKey is BDSWQDHVBNXZRW-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H24N4O/c1-3-16-8-10-17(11-9-16)14-26-15(2)21(24-25-26)22(27)23-20-13-12-18-6-4-5-7-19(18)20/h4-11,20H,3,12-14H2,1-2H3,(H,23,27)/t20-/m0/s1.
What are the key properties of N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide?
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide has a molecular weight of 360.46 g/mol, XLogP of 3.61, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2,3-dihydro-1H-inden-1-yl]-1-[(4-ethylphenyl)methyl]-5-methyltriazole-4-carboxamide is sourced from PubChem (CID 124841815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).