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

C20H23N5O2 — CID 119072619

IUPACN-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-3-(3-methyl-4-pyridinyl)benzamide
SMILESCOCCCn1cnnc1CNC(=O)c1cccc(-c2ccncc2C)c1
InChIInChI=1S/C20H23N5O2/c1-15-12-21-8-7-18(15)16-5-3-6-17(11-16)20(26)22-13-19-24-23-14-25(19)9-4-10-27-2/h3,5-8,11-12,14H,4,9-10,13H2,1-2H3,(H,22,26)
InChIKeyUBLLQAMEANESFD-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.62
Rot. Bonds8

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

N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-3-(3-methyl-4-pyridinyl)benzamide (PubChem CID 119072619) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-3-(3-methyl-4-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-3-(3-methyl-4-pyridinyl)benzamide
PubChem CID119072619
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC NameN-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-3-(3-methyl-4-pyridinyl)benzamide
SMILESCOCCCn1cnnc1CNC(=O)c1cccc(-c2ccncc2C)c1
InChIInChI=1S/C20H23N5O2/c1-15-12-21-8-7-18(15)16-5-3-6-17(11-16)20(26)22-13-19-24-23-14-25(19)9-4-10-27-2/h3,5-8,11-12,14H,4,9-10,13H2,1-2H3,(H,22,26)
InChIKeyUBLLQAMEANESFD-UHFFFAOYSA-N
XLogP2.62
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-3-(3-methyl-4-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

3-(3-fluoro-4-pyridinyl)-N-[(1R)-1-[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 125166274
1-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-3-[(4-methylphenyl)methyl]urea
CID 131938862
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 131920489
(2R)-2-(2-chlorophenyl)-2-hydroxy-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]acetamide
CID 125154769
1-[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]-N-methylmethanamine
CID 98013965
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2-pyrrolidin-1-ylacetamide
CID 91785470
(1R)-N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-2,3-dihydro-1H-indene-1-carboxamide
CID 126425312
N-[(1,3-dimethylpyrazol-4-yl)methyl]-N-methyl-3-(3-methyl-4-pyridinyl)benzamide
CID 119065620
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-6-methylpyrazin-2-amine
CID 134709049
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-4-methylpyrimidin-2-amine
CID 72842483
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]ethanesulfonamide
CID 131901484
3-(3-methoxypropoxy)-N-(3-methyl-4-pyridinyl)benzamide
CID 71998645

Frequently Asked Questions

What is the IUPAC name of N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-3-(3-methyl-4-pyridinyl)benzamide?
The IUPAC name of N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-3-(3-methyl-4-pyridinyl)benzamide (CID 119072619) is N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-3-(3-methyl-4-pyridinyl)benzamide.
What is the SMILES notation for N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-3-(3-methyl-4-pyridinyl)benzamide?
The canonical SMILES for N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-3-(3-methyl-4-pyridinyl)benzamide is COCCCn1cnnc1CNC(=O)c1cccc(-c2ccncc2C)c1.
What is the InChIKey of N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-3-(3-methyl-4-pyridinyl)benzamide?
The InChIKey is UBLLQAMEANESFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-15-12-21-8-7-18(15)16-5-3-6-17(11-16)20(26)22-13-19-24-23-14-25(19)9-4-10-27-2/h3,5-8,11-12,14H,4,9-10,13H2,1-2H3,(H,22,26).
What are the key properties of N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-3-(3-methyl-4-pyridinyl)benzamide?
N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-3-(3-methyl-4-pyridinyl)benzamide has a molecular weight of 365.44 g/mol, XLogP of 2.62, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(3-methoxypropyl)-1,2,4-triazol-3-yl]methyl]-3-(3-methyl-4-pyridinyl)benzamide is sourced from PubChem (CID 119072619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).