N-[2-[3-[4-(4-ethoxyphenyl)triazol-1-yl]azetidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide

C21H22N6O3 — CID 75473473

IUPACN-[2-[3-[4-(4-ethoxyphenyl)triazol-1-yl]azetidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
SMILESCCOc1ccc(-c2cn(C3CN(C(=O)CNC(=O)c4cccnc4)C3)nn2)cc1
InChIInChI=1S/C21H22N6O3/c1-2-30-18-7-5-15(6-8-18)19-14-27(25-24-19)17-12-26(13-17)20(28)11-23-21(29)16-4-3-9-22-10-16/h3-10,14,17H,2,11-13H2,1H3,(H,23,29)
InChIKeyYAFDMQOOOGFSRT-UHFFFAOYSA-N
MW406.45 g/mol
LogP1.55
Rot. Bonds7

About N-[2-[3-[4-(4-ethoxyphenyl)triazol-1-yl]azetidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide

N-[2-[3-[4-(4-ethoxyphenyl)triazol-1-yl]azetidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide (PubChem CID 75473473) has the molecular formula C21H22N6O3 and a molecular weight of 406.45 g/mol. Its IUPAC name is N-[2-[3-[4-(4-ethoxyphenyl)triazol-1-yl]azetidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-[4-(4-ethoxyphenyl)triazol-1-yl]azetidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
PubChem CID75473473
Molecular FormulaC21H22N6O3
Molecular Weight406.45 g/mol
Exact Mass406.18
IUPAC NameN-[2-[3-[4-(4-ethoxyphenyl)triazol-1-yl]azetidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
SMILESCCOc1ccc(-c2cn(C3CN(C(=O)CNC(=O)c4cccnc4)C3)nn2)cc1
InChIInChI=1S/C21H22N6O3/c1-2-30-18-7-5-15(6-8-18)19-14-27(25-24-19)17-12-26(13-17)20(28)11-23-21(29)16-4-3-9-22-10-16/h3-10,14,17H,2,11-13H2,1H3,(H,23,29)
InChIKeyYAFDMQOOOGFSRT-UHFFFAOYSA-N
XLogP1.55
TPSA102.24 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.45
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[2-[3-[4-(4-ethoxyphenyl)triazol-1-yl]azetidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide with MolForge

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Related Compounds

N-[2-oxo-2-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]ethyl]benzamide
CID 75473398
N-[1-[2-[(4-ethoxybenzoyl)amino]acetyl]piperidin-4-yl]pyridine-3-carboxamide
CID 47836779
N-[2-[[2-(4-ethoxyphenoxy)acetyl]amino]ethyl]pyridine-3-carboxamide
CID 39577143
N-[2-[(4-ethoxybenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 39580083
N-[3-[[2-(4-ethoxyphenoxy)acetyl]amino]propyl]pyridine-3-carboxamide
CID 108926648
[3-(4-phenyltriazol-1-yl)pyrrolidin-1-yl]-pyridin-3-ylmethanone
CID 86264894
1-azabicyclo[3.2.1]octan-5-yl-[3-[4-(4-ethoxyphenyl)triazol-1-yl]azetidin-1-yl]methanone
CID 167961970
N-[2-[(3R,4S)-3-benzyl-4-hydroxypyrrolidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide
CID 136587839
N-ethyl-4-oxo-4-[3-(4-phenyltriazol-1-yl)azetidin-1-yl]butanamide
CID 146131664
3-methoxy-N-[2-oxo-2-[3-(triazol-1-yl)azetidin-1-yl]ethyl]benzamide
CID 121154782
1-[3-[4-(4-ethoxy-3-fluorophenyl)triazol-1-yl]azetidin-1-yl]-2-methoxyethanone
CID 166339209
N-[2-oxo-2-[4-(4-phenylmethoxyphenyl)piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 143955756

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[4-(4-ethoxyphenyl)triazol-1-yl]azetidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[3-[4-(4-ethoxyphenyl)triazol-1-yl]azetidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide (CID 75473473) is N-[2-[3-[4-(4-ethoxyphenyl)triazol-1-yl]azetidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[3-[4-(4-ethoxyphenyl)triazol-1-yl]azetidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[3-[4-(4-ethoxyphenyl)triazol-1-yl]azetidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide is CCOc1ccc(-c2cn(C3CN(C(=O)CNC(=O)c4cccnc4)C3)nn2)cc1.
What is the InChIKey of N-[2-[3-[4-(4-ethoxyphenyl)triazol-1-yl]azetidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide?
The InChIKey is YAFDMQOOOGFSRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6O3/c1-2-30-18-7-5-15(6-8-18)19-14-27(25-24-19)17-12-26(13-17)20(28)11-23-21(29)16-4-3-9-22-10-16/h3-10,14,17H,2,11-13H2,1H3,(H,23,29).
What are the key properties of N-[2-[3-[4-(4-ethoxyphenyl)triazol-1-yl]azetidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide?
N-[2-[3-[4-(4-ethoxyphenyl)triazol-1-yl]azetidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide has a molecular weight of 406.45 g/mol, XLogP of 1.55, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[4-(4-ethoxyphenyl)triazol-1-yl]azetidin-1-yl]-2-oxoethyl]pyridine-3-carboxamide is sourced from PubChem (CID 75473473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).