4-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,2,4-triazol-3-yl]benzamide

C23H17N7O — CID 142669601

IUPAC4-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,2,4-triazol-3-yl]benzamide
SMILESCc1cccc(-n2nc(-c3ccc(C(N)=O)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C23H17N7O/c1-14-3-2-4-20(27-14)30-23(17-9-10-18-19(13-17)26-12-11-25-18)28-22(29-30)16-7-5-15(6-8-16)21(24)31/h2-13H,1H3,(H2,24,31)
InChIKeyNIFRAWZZIVSFLD-UHFFFAOYSA-N
MW407.44 g/mol
LogP3.35
Rot. Bonds4

About 4-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,2,4-triazol-3-yl]benzamide

4-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,2,4-triazol-3-yl]benzamide (PubChem CID 142669601) has the molecular formula C23H17N7O and a molecular weight of 407.44 g/mol. Its IUPAC name is 4-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,2,4-triazol-3-yl]benzamide.

Molecular Properties

Compound Name4-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,2,4-triazol-3-yl]benzamide
PubChem CID142669601
Molecular FormulaC23H17N7O
Molecular Weight407.44 g/mol
Exact Mass407.15
IUPAC Name4-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,2,4-triazol-3-yl]benzamide
SMILESCc1cccc(-n2nc(-c3ccc(C(N)=O)cc3)nc2-c2ccc3nccnc3c2)n1
InChIInChI=1S/C23H17N7O/c1-14-3-2-4-20(27-14)30-23(17-9-10-18-19(13-17)26-12-11-25-18)28-22(29-30)16-7-5-15(6-8-16)21(24)31/h2-13H,1H3,(H2,24,31)
InChIKeyNIFRAWZZIVSFLD-UHFFFAOYSA-N
XLogP3.35
TPSA112.47 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-[5-(1,3-benzodioxol-5-yl)-1-(6-methyl-2-pyridinyl)-1,2,4-triazol-3-yl]benzamide
CID 10069509
3-[3-(4-chlorophenyl)-5-quinoxalin-6-yl-1,2,4-triazol-1-yl]benzoic acid
CID 177237121
4-[5-(1-methylpyrazol-3-yl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]benzamide
CID 137394108
6-[5-(3,5-difluorophenyl)-3-(6-methyl-2-pyridinyl)triazol-4-yl]quinoxaline
CID 71552265
N-[(4-cyanophenyl)methyl]-2-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-ylpyrazol-3-yl]acetamide
CID 138595171
3-[3-[4-(4-propan-2-yloxyphenyl)phenyl]-5-quinoxalin-6-yl-1,2,4-triazol-1-yl]benzoic acid
CID 177237137
4-[4-(6-methyl-2-pyridinyl)piperazin-1-yl]benzamide
CID 75524435
3-[5-(4-chlorophenyl)-3-quinoxalin-6-yl-1,2,4-triazol-1-yl]benzoic acid
CID 177237124
2-methylquinoxaline-6-carboxamide
CID 89421881
2-methyl-5-quinoxalin-6-ylpyridine-3-carboxamide
CID 174843586
4-[[5-(6-propyl-2-pyridinyl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]benzamide
CID 11518009
3-methylbenzimidazole-5-carboxamide
CID 21105052

Frequently Asked Questions

What is the IUPAC name of 4-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,2,4-triazol-3-yl]benzamide?
The IUPAC name of 4-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,2,4-triazol-3-yl]benzamide (CID 142669601) is 4-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,2,4-triazol-3-yl]benzamide.
What is the SMILES notation for 4-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,2,4-triazol-3-yl]benzamide?
The canonical SMILES for 4-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,2,4-triazol-3-yl]benzamide is Cc1cccc(-n2nc(-c3ccc(C(N)=O)cc3)nc2-c2ccc3nccnc3c2)n1.
What is the InChIKey of 4-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,2,4-triazol-3-yl]benzamide?
The InChIKey is NIFRAWZZIVSFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N7O/c1-14-3-2-4-20(27-14)30-23(17-9-10-18-19(13-17)26-12-11-25-18)28-22(29-30)16-7-5-15(6-8-16)21(24)31/h2-13H,1H3,(H2,24,31).
What are the key properties of 4-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,2,4-triazol-3-yl]benzamide?
4-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,2,4-triazol-3-yl]benzamide has a molecular weight of 407.44 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(6-methyl-2-pyridinyl)-5-quinoxalin-6-yl-1,2,4-triazol-3-yl]benzamide is sourced from PubChem (CID 142669601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).