3-(dimethylamino)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide

C21H23N5O — CID 91889101

IUPAC3-(dimethylamino)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide
SMILESCN(C)c1cccc(C(=O)Nc2cccc(-c3nnc4n3CCCC4)c2)c1
InChIInChI=1S/C21H23N5O/c1-25(2)18-10-6-8-16(14-18)21(27)22-17-9-5-7-15(13-17)20-24-23-19-11-3-4-12-26(19)20/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,22,27)
InChIKeyMXKYRPANYOBSRX-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.60
Rot. Bonds4

About 3-(dimethylamino)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide

3-(dimethylamino)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide (PubChem CID 91889101) has the molecular formula C21H23N5O and a molecular weight of 361.45 g/mol. Its IUPAC name is 3-(dimethylamino)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-(dimethylamino)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide
PubChem CID91889101
Molecular FormulaC21H23N5O
Molecular Weight361.45 g/mol
Exact Mass361.19
IUPAC Name3-(dimethylamino)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide
SMILESCN(C)c1cccc(C(=O)Nc2cccc(-c3nnc4n3CCCC4)c2)c1
InChIInChI=1S/C21H23N5O/c1-25(2)18-10-6-8-16(14-18)21(27)22-17-9-5-7-15(13-17)20-24-23-19-11-3-4-12-26(19)20/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,22,27)
InChIKeyMXKYRPANYOBSRX-UHFFFAOYSA-N
XLogP3.60
TPSA63.05 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(dimethylamino)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide with MolForge

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Related Compounds

3-(((4-Methyl-5-(pyridin-4-yl)-4H-1,2,4-triazol-3-yl)methyl)amino)-N-(2-(trifluoromethyl)benzyl)benzamide
CID 11677079
N-Benzyl-3-({[5-(Pyridin-4-Yl)-4h-1,2,4-Triazol-3-Yl]methyl}amino)benzamide
CID 11494718
N-[3-(4-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)phenyl]benzamide
CID 944986
N-(3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)-2-methylbenzamide
CID 7217775
N-(3-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)-3-methylbenzamide
CID 7217794
(4-fluorophenyl)(8-methyl-3-(6-methylpyridin-2-yl)-5,6-dihydro-[1,2,4]triazolo[4,3-a]pyrazin-7(8H)-yl)methanone
CID 67451905
(4-fluorophenyl)-[3-(6-methyl-2-pyridinyl)-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl]methanone
CID 67453320
N-benzyl-3-[[3-(3-methyl-4-pyridinyl)-1H-1,2,4-triazol-5-yl]methylamino]benzamide
CID 137634374
3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)methylamino]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 137634439
N-benzyl-N-methyl-3-[(3-pyridin-4-yl-1H-1,2,4-triazol-5-yl)methylamino]benzamide
CID 137634643
N-benzyl-3-[(4-methyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 137642906
N-benzyl-3-[(4-ethyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)methylamino]benzamide
CID 137647477

Frequently Asked Questions

What is the IUPAC name of 3-(dimethylamino)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide?
The IUPAC name of 3-(dimethylamino)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide (CID 91889101) is 3-(dimethylamino)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide.
What is the SMILES notation for 3-(dimethylamino)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide?
The canonical SMILES for 3-(dimethylamino)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide is CN(C)c1cccc(C(=O)Nc2cccc(-c3nnc4n3CCCC4)c2)c1.
What is the InChIKey of 3-(dimethylamino)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide?
The InChIKey is MXKYRPANYOBSRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O/c1-25(2)18-10-6-8-16(14-18)21(27)22-17-9-5-7-15(13-17)20-24-23-19-11-3-4-12-26(19)20/h5-10,13-14H,3-4,11-12H2,1-2H3,(H,22,27).
What are the key properties of 3-(dimethylamino)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide?
3-(dimethylamino)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide has a molecular weight of 361.45 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(dimethylamino)-N-[3-(5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridin-3-yl)phenyl]benzamide is sourced from PubChem (CID 91889101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).