N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide

C21H19N5O3 — CID 47066017

IUPACN-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
SMILESCCOc1ccccc1Oc1ccc(CNC(=O)c2ccc3n[nH]nc3c2)cn1
InChIInChI=1S/C21H19N5O3/c1-2-28-18-5-3-4-6-19(18)29-20-10-7-14(12-22-20)13-23-21(27)15-8-9-16-17(11-15)25-26-24-16/h3-12H,2,13H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyJWTZDGRENHFBGJ-UHFFFAOYSA-N
MW389.42 g/mol
LogP3.47
Rot. Bonds7

About N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide

N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide (PubChem CID 47066017) has the molecular formula C21H19N5O3 and a molecular weight of 389.42 g/mol. Its IUPAC name is N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
PubChem CID47066017
Molecular FormulaC21H19N5O3
Molecular Weight389.42 g/mol
Exact Mass389.15
IUPAC NameN-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
SMILESCCOc1ccccc1Oc1ccc(CNC(=O)c2ccc3n[nH]nc3c2)cn1
InChIInChI=1S/C21H19N5O3/c1-2-28-18-5-3-4-6-19(18)29-20-10-7-14(12-22-20)13-23-21(27)15-8-9-16-17(11-15)25-26-24-16/h3-12H,2,13H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyJWTZDGRENHFBGJ-UHFFFAOYSA-N
XLogP3.47
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.42
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2,6-difluorobenzamide
CID 87006586
N-[[6-(dimethylamino)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
CID 55621111
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 47065602
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-pyridin-2-ylurea
CID 55821483
N-[(6-cyclopentyloxy-3-pyridinyl)methyl]-3,4-diethoxybenzamide
CID 60520618
1-benzyl-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 110952298
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-methyl-2-propan-2-yl-1,3-thiazole-5-carboxamide
CID 55805483
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
CID 56752971
4-(2,5-dimethylthiophen-3-yl)-N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-4-oxobutanamide
CID 55933615
1-butyl-3-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2-methylguanidine
CID 111152170
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-fluorophenyl)-2-hydroxyethyl]urea
CID 55929980
1-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-3-[2-(2-methyl-1H-indol-3-yl)ethyl]urea
CID 86882869

Frequently Asked Questions

What is the IUPAC name of N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide (CID 47066017) is N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide is CCOc1ccccc1Oc1ccc(CNC(=O)c2ccc3n[nH]nc3c2)cn1.
What is the InChIKey of N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is JWTZDGRENHFBGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O3/c1-2-28-18-5-3-4-6-19(18)29-20-10-7-14(12-22-20)13-23-21(27)15-8-9-16-17(11-15)25-26-24-16/h3-12H,2,13H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide?
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 389.42 g/mol, XLogP of 3.47, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 47066017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).