3-[5-(2-ethoxyethyl)-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide

C22H27N5O3 — CID 76601235

IUPAC3-[5-(2-ethoxyethyl)-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide
SMILESCCOCCc1ncnn1-c1cc(C(=O)NC(C)CO)cc(-c2ccc(C)cn2)c1
InChIInChI=1S/C22H27N5O3/c1-4-30-8-7-21-24-14-25-27(21)19-10-17(20-6-5-15(2)12-23-20)9-18(11-19)22(29)26-16(3)13-28/h5-6,9-12,14,16,28H,4,7-8,13H2,1-3H3,(H,26,29)
InChIKeyRFSRNRHLEYMANN-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.33
Rot. Bonds9

About 3-[5-(2-ethoxyethyl)-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide

3-[5-(2-ethoxyethyl)-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide (PubChem CID 76601235) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 3-[5-(2-ethoxyethyl)-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide.

Molecular Properties

Compound Name3-[5-(2-ethoxyethyl)-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide
PubChem CID76601235
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name3-[5-(2-ethoxyethyl)-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide
SMILESCCOCCc1ncnn1-c1cc(C(=O)NC(C)CO)cc(-c2ccc(C)cn2)c1
InChIInChI=1S/C22H27N5O3/c1-4-30-8-7-21-24-14-25-27(21)19-10-17(20-6-5-15(2)12-23-20)9-18(11-19)22(29)26-16(3)13-28/h5-6,9-12,14,16,28H,4,7-8,13H2,1-3H3,(H,26,29)
InChIKeyRFSRNRHLEYMANN-UHFFFAOYSA-N
XLogP2.33
TPSA102.16 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[5-(2-ethoxyethyl)-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-[5-(trifluoromethyl)tetrazol-1-yl]benzamide
CID 76642993
N-(1-hydroxypropan-2-yl)-3-[5-[(1S)-1-methoxyethyl]-1,2,4-triazol-1-yl]-5-(4-methylphenyl)benzamide
CID 90759463
3-[5-[(1S)-1-(dimethylamino)ethyl]-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(4-methylphenyl)benzamide
CID 91196234
3-(5-chloro-2-pyridinyl)-5-(5-ethyltetrazol-1-yl)-N-(1-hydroxypropan-2-yl)benzamide
CID 69004377
N-(1-hydroxypropan-2-yl)-3-(5-methyl-2-pyridinyl)-5-(4-propan-2-ylthiadiazol-5-yl)benzamide
CID 75214758
N-[(2S)-1-hydroxypropan-2-yl]-3-[(3-methyl-2-oxobutyl)amino]-5-(5-methyl-2-pyridinyl)benzamide
CID 67511647
3-(4-cyano-3-pyridinyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-(5-methyl-2-pyridinyl)benzamide
CID 45138550
3-(2-cyano-6-methylphenyl)-N-[(2S)-1-hydroxypropan-2-yl]-5-(5-methyl-2-pyridinyl)benzamide
CID 45138255
3-(4-cyano-3-pyridinyl)-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide
CID 75096326
N-[(2S)-1-hydroxypropan-2-yl]-1-(4-methylphenyl)-4-(5-methyl-2-pyridinyl)indole-6-carboxamide
CID 59627775
3-(6-chloropyridazin-3-yl)-N-(1-hydroxypropan-2-yl)-5-(5-propan-2-yltetrazol-1-yl)benzamide
CID 44600198
3-[5-(2-methylpropyl)pyrazol-1-yl]-N-[(6-methylpyridazin-3-yl)methyl]-5-(5-methyl-2-pyridinyl)benzamide
CID 42628829

Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-ethoxyethyl)-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide?
The IUPAC name of 3-[5-(2-ethoxyethyl)-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide (CID 76601235) is 3-[5-(2-ethoxyethyl)-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide.
What is the SMILES notation for 3-[5-(2-ethoxyethyl)-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide?
The canonical SMILES for 3-[5-(2-ethoxyethyl)-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide is CCOCCc1ncnn1-c1cc(C(=O)NC(C)CO)cc(-c2ccc(C)cn2)c1.
What is the InChIKey of 3-[5-(2-ethoxyethyl)-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide?
The InChIKey is RFSRNRHLEYMANN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-4-30-8-7-21-24-14-25-27(21)19-10-17(20-6-5-15(2)12-23-20)9-18(11-19)22(29)26-16(3)13-28/h5-6,9-12,14,16,28H,4,7-8,13H2,1-3H3,(H,26,29).
What are the key properties of 3-[5-(2-ethoxyethyl)-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide?
3-[5-(2-ethoxyethyl)-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide has a molecular weight of 409.49 g/mol, XLogP of 2.33, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-ethoxyethyl)-1,2,4-triazol-1-yl]-N-(1-hydroxypropan-2-yl)-5-(5-methyl-2-pyridinyl)benzamide is sourced from PubChem (CID 76601235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).