N-tert-butyl-1-(2-methoxy-4-pyridinyl)azetidine-3-carboxamide

C14H21N3O2 — CID 166602186

IUPACN-tert-butyl-1-(2-methoxy-4-pyridinyl)azetidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)NC(C)(C)C)C2)ccn1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)16-13(18)10-8-17(9-10)11-5-6-15-12(7-11)19-4/h5-7,10H,8-9H2,1-4H3,(H,16,18)
InChIKeyQNBXZUOLSMKAMH-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.44
Rot. Bonds3

About N-tert-butyl-1-(2-methoxy-4-pyridinyl)azetidine-3-carboxamide

N-tert-butyl-1-(2-methoxy-4-pyridinyl)azetidine-3-carboxamide (PubChem CID 166602186) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-tert-butyl-1-(2-methoxy-4-pyridinyl)azetidine-3-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-1-(2-methoxy-4-pyridinyl)azetidine-3-carboxamide
PubChem CID166602186
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-tert-butyl-1-(2-methoxy-4-pyridinyl)azetidine-3-carboxamide
SMILESCOc1cc(N2CC(C(=O)NC(C)(C)C)C2)ccn1
InChIInChI=1S/C14H21N3O2/c1-14(2,3)16-13(18)10-8-17(9-10)11-5-6-15-12(7-11)19-4/h5-7,10H,8-9H2,1-4H3,(H,16,18)
InChIKeyQNBXZUOLSMKAMH-UHFFFAOYSA-N
XLogP1.44
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]propanoic acid
CID 116682028
N-tert-butyl-1-(4-methoxypyrimidin-2-yl)piperidine-3-carboxamide
CID 166600760
lithium 2-[1-(2-methoxy-4-pyridinyl)azetidin-3-yl]acetate
CID 171808777
N-tert-butyl-1-(2-cyano-4-pyridinyl)piperidine-3-carboxamide
CID 172880720
(1R,5R)-3-(2-methoxy-4-pyridinyl)-3-azabicyclo[3.2.1]octan-8-amine
CID 139504080
N-tert-butyl-1-(3-methoxy-2-pyridinyl)pyrrolidine-3-carboxamide
CID 172899385
methyl 2-[1-[2-(2-methoxy-4-pyridinyl)-4-pyridinyl]azetidin-3-yl]acetate
CID 172578180
N-tert-butyl-1-(6-phenylpyrimidin-4-yl)azetidine-3-carboxamide
CID 121168055
(3S)-N-[(1R,2R,4S)-7-cyano-7-azabicyclo[2.2.1]heptan-2-yl]-1-(2-methoxy-4-pyridinyl)pyrrolidine-3-carboxamide
CID 162690614
N-tert-butyl-1-(3-methoxy-2-pyridinyl)piperidine-3-carboxamide
CID 172880737
N-tert-butyl-1-[6-(1,2,4-triazol-1-yl)pyrimidin-4-yl]azetidine-3-carboxamide
CID 121168311
N-tert-butyl-1-[5-(trifluoromethyl)-2-pyridinyl]azetidine-3-carboxamide
CID 165434491

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-1-(2-methoxy-4-pyridinyl)azetidine-3-carboxamide?
The IUPAC name of N-tert-butyl-1-(2-methoxy-4-pyridinyl)azetidine-3-carboxamide (CID 166602186) is N-tert-butyl-1-(2-methoxy-4-pyridinyl)azetidine-3-carboxamide.
What is the SMILES notation for N-tert-butyl-1-(2-methoxy-4-pyridinyl)azetidine-3-carboxamide?
The canonical SMILES for N-tert-butyl-1-(2-methoxy-4-pyridinyl)azetidine-3-carboxamide is COc1cc(N2CC(C(=O)NC(C)(C)C)C2)ccn1.
What is the InChIKey of N-tert-butyl-1-(2-methoxy-4-pyridinyl)azetidine-3-carboxamide?
The InChIKey is QNBXZUOLSMKAMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-14(2,3)16-13(18)10-8-17(9-10)11-5-6-15-12(7-11)19-4/h5-7,10H,8-9H2,1-4H3,(H,16,18).
What are the key properties of N-tert-butyl-1-(2-methoxy-4-pyridinyl)azetidine-3-carboxamide?
N-tert-butyl-1-(2-methoxy-4-pyridinyl)azetidine-3-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-1-(2-methoxy-4-pyridinyl)azetidine-3-carboxamide is sourced from PubChem (CID 166602186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).