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

C20H17N5O3 — CID 56752971

IUPACN-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
SMILESCOc1ccccc1Oc1ncccc1CNC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C20H17N5O3/c1-27-17-6-2-3-7-18(17)28-20-14(5-4-10-21-20)12-22-19(26)13-8-9-15-16(11-13)24-25-23-15/h2-11H,12H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyMAYBVBJWUYCGSC-UHFFFAOYSA-N
MW375.39 g/mol
LogP3.08
Rot. Bonds6

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

N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide (PubChem CID 56752971) has the molecular formula C20H17N5O3 and a molecular weight of 375.39 g/mol. Its IUPAC name is N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
PubChem CID56752971
Molecular FormulaC20H17N5O3
Molecular Weight375.39 g/mol
Exact Mass375.13
IUPAC NameN-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
SMILESCOc1ccccc1Oc1ncccc1CNC(=O)c1ccc2n[nH]nc2c1
InChIInChI=1S/C20H17N5O3/c1-27-17-6-2-3-7-18(17)28-20-14(5-4-10-21-20)12-22-19(26)13-8-9-15-16(11-13)24-25-23-15/h2-11H,12H2,1H3,(H,22,26)(H,23,24,25)
InChIKeyMAYBVBJWUYCGSC-UHFFFAOYSA-N
XLogP3.08
TPSA102.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.39
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]quinoline-6-carboxamide
CID 56738127
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-6-methylpyridine-3-carboxamide
CID 42291642
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]furan-3-carboxamide
CID 26409085
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]acetamide
CID 42198309
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 42515365
N-[[2-(2-fluorophenoxy)-3-pyridinyl]methyl]-2-oxo-1,3-dihydrobenzimidazole-5-carboxamide
CID 56752779
(3R)-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]pyrrolidine-3-carboxamide
CID 95191447
(2S)-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]butanamide
CID 95206608
(2S)-3,3,3-trifluoro-2-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
CID 95208041
(2S)-2-amino-3-hydroxy-N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]propanamide
CID 56741172
N-[(2,6-dimethoxyphenyl)methyl]quinoline-6-carboxamide
CID 59192099
N-[[6-(2-ethoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide
CID 47066017

Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide (CID 56752971) is N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide is COc1ccccc1Oc1ncccc1CNC(=O)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide?
The InChIKey is MAYBVBJWUYCGSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O3/c1-27-17-6-2-3-7-18(17)28-20-14(5-4-10-21-20)12-22-19(26)13-8-9-15-16(11-13)24-25-23-15/h2-11H,12H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide?
N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide has a molecular weight of 375.39 g/mol, XLogP of 3.08, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methoxyphenoxy)-3-pyridinyl]methyl]-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 56752971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).