N,N-dimethyl-2-[3-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]indol-1-yl]acetamide

C22H24N6O — CID 170299597

IUPACN,N-dimethyl-2-[3-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]indol-1-yl]acetamide
SMILESCc1cccc(Cn2cnc(-c3ccc4c(c3)c(C)cn4CC(=O)N(C)C)n2)n1
InChIInChI=1S/C22H24N6O/c1-15-11-27(13-21(29)26(3)4)20-9-8-17(10-19(15)20)22-23-14-28(25-22)12-18-7-5-6-16(2)24-18/h5-11,14H,12-13H2,1-4H3
InChIKeyBJPGYSUNAYYESD-UHFFFAOYSA-N
MW388.48 g/mol
LogP3.05
Rot. Bonds5

About N,N-dimethyl-2-[3-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]indol-1-yl]acetamide

N,N-dimethyl-2-[3-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]indol-1-yl]acetamide (PubChem CID 170299597) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is N,N-dimethyl-2-[3-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]indol-1-yl]acetamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[3-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]indol-1-yl]acetamide
PubChem CID170299597
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC NameN,N-dimethyl-2-[3-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]indol-1-yl]acetamide
SMILESCc1cccc(Cn2cnc(-c3ccc4c(c3)c(C)cn4CC(=O)N(C)C)n2)n1
InChIInChI=1S/C22H24N6O/c1-15-11-27(13-21(29)26(3)4)20-9-8-17(10-19(15)20)22-23-14-28(25-22)12-18-7-5-6-16(2)24-18/h5-11,14H,12-13H2,1-4H3
InChIKeyBJPGYSUNAYYESD-UHFFFAOYSA-N
XLogP3.05
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[3-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]indol-1-yl]acetamide?
The IUPAC name of N,N-dimethyl-2-[3-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]indol-1-yl]acetamide (CID 170299597) is N,N-dimethyl-2-[3-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]indol-1-yl]acetamide.
What is the SMILES notation for N,N-dimethyl-2-[3-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]indol-1-yl]acetamide?
The canonical SMILES for N,N-dimethyl-2-[3-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]indol-1-yl]acetamide is Cc1cccc(Cn2cnc(-c3ccc4c(c3)c(C)cn4CC(=O)N(C)C)n2)n1.
What is the InChIKey of N,N-dimethyl-2-[3-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]indol-1-yl]acetamide?
The InChIKey is BJPGYSUNAYYESD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O/c1-15-11-27(13-21(29)26(3)4)20-9-8-17(10-19(15)20)22-23-14-28(25-22)12-18-7-5-6-16(2)24-18/h5-11,14H,12-13H2,1-4H3.
What are the key properties of N,N-dimethyl-2-[3-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]indol-1-yl]acetamide?
N,N-dimethyl-2-[3-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]indol-1-yl]acetamide has a molecular weight of 388.48 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[3-methyl-5-[1-[(6-methyl-2-pyridinyl)methyl]-1,2,4-triazol-3-yl]indol-1-yl]acetamide is sourced from PubChem (CID 170299597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).