N-[(2-ethoxy-3-pyridinyl)methyl]-1-ethylbenzotriazole-5-carboxamide

C17H19N5O2 — CID 30832500

IUPACN-[(2-ethoxy-3-pyridinyl)methyl]-1-ethylbenzotriazole-5-carboxamide
SMILESCCOc1ncccc1CNC(=O)c1ccc2c(c1)nnn2CC
InChIInChI=1S/C17H19N5O2/c1-3-22-15-8-7-12(10-14(15)20-21-22)16(23)19-11-13-6-5-9-18-17(13)24-4-2/h5-10H,3-4,11H2,1-2H3,(H,19,23)
InChIKeyMYHGCUWXGOTDNK-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.17
Rot. Bonds6

About N-[(2-ethoxy-3-pyridinyl)methyl]-1-ethylbenzotriazole-5-carboxamide

N-[(2-ethoxy-3-pyridinyl)methyl]-1-ethylbenzotriazole-5-carboxamide (PubChem CID 30832500) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[(2-ethoxy-3-pyridinyl)methyl]-1-ethylbenzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-ethoxy-3-pyridinyl)methyl]-1-ethylbenzotriazole-5-carboxamide
PubChem CID30832500
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[(2-ethoxy-3-pyridinyl)methyl]-1-ethylbenzotriazole-5-carboxamide
SMILESCCOc1ncccc1CNC(=O)c1ccc2c(c1)nnn2CC
InChIInChI=1S/C17H19N5O2/c1-3-22-15-8-7-12(10-14(15)20-21-22)16(23)19-11-13-6-5-9-18-17(13)24-4-2/h5-10H,3-4,11H2,1-2H3,(H,19,23)
InChIKeyMYHGCUWXGOTDNK-UHFFFAOYSA-N
XLogP2.17
TPSA81.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-ethyl-N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]benzotriazole-5-carboxamide
CID 18119095
N-[[4-(ethoxymethyl)phenyl]methyl]-1-ethylbenzotriazole-5-carboxamide
CID 30873001
N-[(2-ethoxy-3-pyridinyl)methyl]-2-ethylpyrazole-3-carboxamide
CID 53184912
3,4,5-triethoxy-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 30832504
N-[(2-ethoxyphenyl)methyl]-1-propan-2-ylbenzotriazole-5-carboxamide
CID 53051647
N-butyl-1-ethylbenzotriazole-5-carboxamide
CID 18106233
1-ethyl-N-prop-2-ynylbenzotriazole-5-carboxamide
CID 30600317
4-(acetamidomethyl)-N-[(2-ethoxy-3-pyridinyl)methyl]benzamide
CID 37487511
1-ethyl-N-(2-ethylphenyl)benzotriazole-5-carboxamide
CID 8839386
1-ethyl-N-[(3-phenoxyphenyl)methyl]benzotriazole-5-carboxamide
CID 39021866
N-[(2-ethoxy-3-pyridinyl)methyl]-1-oxidopyridin-1-ium-4-carboxamide
CID 38537886
1-ethyl-N-hexylbenzotriazole-5-carboxamide
CID 51339254

Frequently Asked Questions

What is the IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-1-ethylbenzotriazole-5-carboxamide?
The IUPAC name of N-[(2-ethoxy-3-pyridinyl)methyl]-1-ethylbenzotriazole-5-carboxamide (CID 30832500) is N-[(2-ethoxy-3-pyridinyl)methyl]-1-ethylbenzotriazole-5-carboxamide.
What is the SMILES notation for N-[(2-ethoxy-3-pyridinyl)methyl]-1-ethylbenzotriazole-5-carboxamide?
The canonical SMILES for N-[(2-ethoxy-3-pyridinyl)methyl]-1-ethylbenzotriazole-5-carboxamide is CCOc1ncccc1CNC(=O)c1ccc2c(c1)nnn2CC.
What is the InChIKey of N-[(2-ethoxy-3-pyridinyl)methyl]-1-ethylbenzotriazole-5-carboxamide?
The InChIKey is MYHGCUWXGOTDNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-3-22-15-8-7-12(10-14(15)20-21-22)16(23)19-11-13-6-5-9-18-17(13)24-4-2/h5-10H,3-4,11H2,1-2H3,(H,19,23).
What are the key properties of N-[(2-ethoxy-3-pyridinyl)methyl]-1-ethylbenzotriazole-5-carboxamide?
N-[(2-ethoxy-3-pyridinyl)methyl]-1-ethylbenzotriazole-5-carboxamide has a molecular weight of 325.37 g/mol, XLogP of 2.17, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-ethoxy-3-pyridinyl)methyl]-1-ethylbenzotriazole-5-carboxamide is sourced from PubChem (CID 30832500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).