N-(3-methoxybutyl)-3-pyridin-4-ylazetidine-1-carboxamide

C14H21N3O2 — CID 131893588

IUPACN-(3-methoxybutyl)-3-pyridin-4-ylazetidine-1-carboxamide
SMILESCOC(C)CCNC(=O)N1CC(c2ccncc2)C1
InChIInChI=1S/C14H21N3O2/c1-11(19-2)3-8-16-14(18)17-9-13(10-17)12-4-6-15-7-5-12/h4-7,11,13H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyDIWOAVLBVTYABI-UHFFFAOYSA-N
MW263.34 g/mol
LogP1.62
Rot. Bonds5

About N-(3-methoxybutyl)-3-pyridin-4-ylazetidine-1-carboxamide

N-(3-methoxybutyl)-3-pyridin-4-ylazetidine-1-carboxamide (PubChem CID 131893588) has the molecular formula C14H21N3O2 and a molecular weight of 263.34 g/mol. Its IUPAC name is N-(3-methoxybutyl)-3-pyridin-4-ylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(3-methoxybutyl)-3-pyridin-4-ylazetidine-1-carboxamide
PubChem CID131893588
Molecular FormulaC14H21N3O2
Molecular Weight263.34 g/mol
Exact Mass263.16
IUPAC NameN-(3-methoxybutyl)-3-pyridin-4-ylazetidine-1-carboxamide
SMILESCOC(C)CCNC(=O)N1CC(c2ccncc2)C1
InChIInChI=1S/C14H21N3O2/c1-11(19-2)3-8-16-14(18)17-9-13(10-17)12-4-6-15-7-5-12/h4-7,11,13H,3,8-10H2,1-2H3,(H,16,18)
InChIKeyDIWOAVLBVTYABI-UHFFFAOYSA-N
XLogP1.62
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.34
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxybutyl)-3-pyridin-4-ylazetidine-1-carboxamide?
The IUPAC name of N-(3-methoxybutyl)-3-pyridin-4-ylazetidine-1-carboxamide (CID 131893588) is N-(3-methoxybutyl)-3-pyridin-4-ylazetidine-1-carboxamide.
What is the SMILES notation for N-(3-methoxybutyl)-3-pyridin-4-ylazetidine-1-carboxamide?
The canonical SMILES for N-(3-methoxybutyl)-3-pyridin-4-ylazetidine-1-carboxamide is COC(C)CCNC(=O)N1CC(c2ccncc2)C1.
What is the InChIKey of N-(3-methoxybutyl)-3-pyridin-4-ylazetidine-1-carboxamide?
The InChIKey is DIWOAVLBVTYABI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2/c1-11(19-2)3-8-16-14(18)17-9-13(10-17)12-4-6-15-7-5-12/h4-7,11,13H,3,8-10H2,1-2H3,(H,16,18).
What are the key properties of N-(3-methoxybutyl)-3-pyridin-4-ylazetidine-1-carboxamide?
N-(3-methoxybutyl)-3-pyridin-4-ylazetidine-1-carboxamide has a molecular weight of 263.34 g/mol, XLogP of 1.62, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxybutyl)-3-pyridin-4-ylazetidine-1-carboxamide is sourced from PubChem (CID 131893588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).