N-[3-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methoxy]-2-pyridinyl]benzamide

C22H18ClN5O2 — CID 155816547

IUPACN-[3-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methoxy]-2-pyridinyl]benzamide
SMILESO=C(Nc1ncccc1OCc1cn(Cc2ccc(Cl)cc2)nn1)c1ccccc1
InChIInChI=1S/C22H18ClN5O2/c23-18-10-8-16(9-11-18)13-28-14-19(26-27-28)15-30-20-7-4-12-24-21(20)25-22(29)17-5-2-1-3-6-17/h1-12,14H,13,15H2,(H,24,25,29)
InChIKeyWPWVYFLHSRGWIU-UHFFFAOYSA-N
MW419.87 g/mol
LogP4.21
Rot. Bonds7

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

N-[3-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methoxy]-2-pyridinyl]benzamide (PubChem CID 155816547) has the molecular formula C22H18ClN5O2 and a molecular weight of 419.87 g/mol. Its IUPAC name is N-[3-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methoxy]-2-pyridinyl]benzamide.

Molecular Properties

Compound NameN-[3-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methoxy]-2-pyridinyl]benzamide
PubChem CID155816547
Molecular FormulaC22H18ClN5O2
Molecular Weight419.87 g/mol
Exact Mass419.11
IUPAC NameN-[3-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methoxy]-2-pyridinyl]benzamide
SMILESO=C(Nc1ncccc1OCc1cn(Cc2ccc(Cl)cc2)nn1)c1ccccc1
InChIInChI=1S/C22H18ClN5O2/c23-18-10-8-16(9-11-18)13-28-14-19(26-27-28)15-30-20-7-4-12-24-21(20)25-22(29)17-5-2-1-3-6-17/h1-12,14H,13,15H2,(H,24,25,29)
InChIKeyWPWVYFLHSRGWIU-UHFFFAOYSA-N
XLogP4.21
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.87
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-[(2,5-dichlorophenoxy)methyl]-N-(3-phenylmethoxy-2-pyridinyl)benzamide
CID 69070014
2-[(4-chlorophenyl)methylamino]-N-[[1-[(4-methoxyphenyl)methyl]triazol-4-yl]methyl]pyridine-3-carboxamide
CID 118148766
[4-[[1-[(4-fluorophenyl)methyl]triazol-4-yl]methoxy]phenyl]-phenylmethanone
CID 134818047
1-benzyl-4-[(2-bromophenoxy)methyl]triazole
CID 132505108
(1-benzyltriazol-4-yl)methyl benzoate
CID 16745949
[1-[(3-chlorophenyl)methyl]triazol-4-yl]methyl benzoate
CID 53230451
3-chloro-N-[3-[(2-methylphenyl)methoxy]-2-pyridinyl]benzamide
CID 84558608
N-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methyl]-2-(2-methoxy-5-methylanilino)pyridine-3-carboxamide
CID 118148754
N-[4-chloro-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-4-phenylbenzamide
CID 19407354
2-[(4-chlorobenzoyl)amino]pyridine-3-carboxylic acid
CID 63654258
4-[[4-[[2-(4-formyl-1-phenylpyrazol-3-yl)phenoxy]methyl]triazol-1-yl]methyl]benzoic acid
CID 133083925
N-(1-benzyl-4-chloropyrazol-3-yl)-3-[(2-methoxyphenoxy)methyl]benzamide
CID 19400684

Frequently Asked Questions

What is the IUPAC name of N-[3-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methoxy]-2-pyridinyl]benzamide?
The IUPAC name of N-[3-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methoxy]-2-pyridinyl]benzamide (CID 155816547) is N-[3-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methoxy]-2-pyridinyl]benzamide.
What is the SMILES notation for N-[3-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methoxy]-2-pyridinyl]benzamide?
The canonical SMILES for N-[3-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methoxy]-2-pyridinyl]benzamide is O=C(Nc1ncccc1OCc1cn(Cc2ccc(Cl)cc2)nn1)c1ccccc1.
What is the InChIKey of N-[3-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methoxy]-2-pyridinyl]benzamide?
The InChIKey is WPWVYFLHSRGWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18ClN5O2/c23-18-10-8-16(9-11-18)13-28-14-19(26-27-28)15-30-20-7-4-12-24-21(20)25-22(29)17-5-2-1-3-6-17/h1-12,14H,13,15H2,(H,24,25,29).
What are the key properties of N-[3-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methoxy]-2-pyridinyl]benzamide?
N-[3-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methoxy]-2-pyridinyl]benzamide has a molecular weight of 419.87 g/mol, XLogP of 4.21, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[1-[(4-chlorophenyl)methyl]triazol-4-yl]methoxy]-2-pyridinyl]benzamide is sourced from PubChem (CID 155816547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).