N-[[1-[(2-methoxy-4-pyridinyl)methyl]azetidin-3-yl]methyl]-3-(oxolan-2-yl)butanamide

C19H29N3O3 — CID 166434671

IUPACN-[[1-[(2-methoxy-4-pyridinyl)methyl]azetidin-3-yl]methyl]-3-(oxolan-2-yl)butanamide
SMILESCOc1cc(CN2CC(CNC(=O)CC(C)C3CCCO3)C2)ccn1
InChIInChI=1S/C19H29N3O3/c1-14(17-4-3-7-25-17)8-18(23)21-10-16-12-22(13-16)11-15-5-6-20-19(9-15)24-2/h5-6,9,14,16-17H,3-4,7-8,10-13H2,1-2H3,(H,21,23)
InChIKeyIXIAUYCGVHUGHN-UHFFFAOYSA-N
MW347.46 g/mol
LogP1.84
Rot. Bonds8

About N-[[1-[(2-methoxy-4-pyridinyl)methyl]azetidin-3-yl]methyl]-3-(oxolan-2-yl)butanamide

N-[[1-[(2-methoxy-4-pyridinyl)methyl]azetidin-3-yl]methyl]-3-(oxolan-2-yl)butanamide (PubChem CID 166434671) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is N-[[1-[(2-methoxy-4-pyridinyl)methyl]azetidin-3-yl]methyl]-3-(oxolan-2-yl)butanamide.

Molecular Properties

Compound NameN-[[1-[(2-methoxy-4-pyridinyl)methyl]azetidin-3-yl]methyl]-3-(oxolan-2-yl)butanamide
PubChem CID166434671
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC NameN-[[1-[(2-methoxy-4-pyridinyl)methyl]azetidin-3-yl]methyl]-3-(oxolan-2-yl)butanamide
SMILESCOc1cc(CN2CC(CNC(=O)CC(C)C3CCCO3)C2)ccn1
InChIInChI=1S/C19H29N3O3/c1-14(17-4-3-7-25-17)8-18(23)21-10-16-12-22(13-16)11-15-5-6-20-19(9-15)24-2/h5-6,9,14,16-17H,3-4,7-8,10-13H2,1-2H3,(H,21,23)
InChIKeyIXIAUYCGVHUGHN-UHFFFAOYSA-N
XLogP1.84
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methyl]propan-2-amine
CID 55142104
2-(2-methoxy-4-pyridinyl)-N-[5-[(2S)-oxolan-2-yl]-1H-pyrazol-3-yl]acetamide
CID 170160025
[1-[(2-methoxy-4-pyridinyl)methyl]pyrrolidin-3-yl]methanamine
CID 62994364
2-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 18167308
N-(4-fluorophenyl)-2-[4-[(2-methoxy-4-pyridinyl)methyl]piperazin-1-yl]acetamide
CID 166605769
methyl 4-[[(3aS,5R,6R,7aR)-6-hydroxy-2-[(2-methoxy-4-pyridinyl)methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindol-5-yl]oxy]benzoate
CID 172659669
3-cyclopentyl-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 86919796
N-[1-[(2-methoxy-4-pyridinyl)methyl]piperidin-3-yl]pyrimidin-4-amine
CID 171995771
2-[(2-methoxy-4-pyridinyl)methylamino]-N-propan-2-ylacetamide
CID 62990968
4-amino-N-[(2-methoxy-4-pyridinyl)methyl]-3-methylbutanamide
CID 81080753
methyl (2S)-3-(2-methoxy-4-pyridinyl)-2-methylpropanoate
CID 122545540
2-[(2-methoxy-4-pyridinyl)methyl]-1,3,4,5,7,8,9,9a-octahydropyrrolo[1,2-a][1,4]diazepine
CID 79939483

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methoxy-4-pyridinyl)methyl]azetidin-3-yl]methyl]-3-(oxolan-2-yl)butanamide?
The IUPAC name of N-[[1-[(2-methoxy-4-pyridinyl)methyl]azetidin-3-yl]methyl]-3-(oxolan-2-yl)butanamide (CID 166434671) is N-[[1-[(2-methoxy-4-pyridinyl)methyl]azetidin-3-yl]methyl]-3-(oxolan-2-yl)butanamide.
What is the SMILES notation for N-[[1-[(2-methoxy-4-pyridinyl)methyl]azetidin-3-yl]methyl]-3-(oxolan-2-yl)butanamide?
The canonical SMILES for N-[[1-[(2-methoxy-4-pyridinyl)methyl]azetidin-3-yl]methyl]-3-(oxolan-2-yl)butanamide is COc1cc(CN2CC(CNC(=O)CC(C)C3CCCO3)C2)ccn1.
What is the InChIKey of N-[[1-[(2-methoxy-4-pyridinyl)methyl]azetidin-3-yl]methyl]-3-(oxolan-2-yl)butanamide?
The InChIKey is IXIAUYCGVHUGHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-14(17-4-3-7-25-17)8-18(23)21-10-16-12-22(13-16)11-15-5-6-20-19(9-15)24-2/h5-6,9,14,16-17H,3-4,7-8,10-13H2,1-2H3,(H,21,23).
What are the key properties of N-[[1-[(2-methoxy-4-pyridinyl)methyl]azetidin-3-yl]methyl]-3-(oxolan-2-yl)butanamide?
N-[[1-[(2-methoxy-4-pyridinyl)methyl]azetidin-3-yl]methyl]-3-(oxolan-2-yl)butanamide has a molecular weight of 347.46 g/mol, XLogP of 1.84, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methoxy-4-pyridinyl)methyl]azetidin-3-yl]methyl]-3-(oxolan-2-yl)butanamide is sourced from PubChem (CID 166434671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).