(2R)-N-methyl-2-(3-pyridin-4-ylpropyl)azetidine-2-carboxamide

C13H19N3O — CID 95804902

IUPAC(2R)-N-methyl-2-(3-pyridin-4-ylpropyl)azetidine-2-carboxamide
SMILESCNC(=O)[C@@]1(CCCc2ccncc2)CCN1
InChIInChI=1S/C13H19N3O/c1-14-12(17)13(7-10-16-13)6-2-3-11-4-8-15-9-5-11/h4-5,8-9,16H,2-3,6-7,10H2,1H3,(H,14,17)/t13-/m1/s1
InChIKeyAVDMJAXTGJLONV-CYBMUJFWSA-N
MW233.31 g/mol
LogP0.88
Rot. Bonds5

About (2R)-N-methyl-2-(3-pyridin-4-ylpropyl)azetidine-2-carboxamide

(2R)-N-methyl-2-(3-pyridin-4-ylpropyl)azetidine-2-carboxamide (PubChem CID 95804902) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is (2R)-N-methyl-2-(3-pyridin-4-ylpropyl)azetidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-methyl-2-(3-pyridin-4-ylpropyl)azetidine-2-carboxamide
PubChem CID95804902
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name(2R)-N-methyl-2-(3-pyridin-4-ylpropyl)azetidine-2-carboxamide
SMILESCNC(=O)[C@@]1(CCCc2ccncc2)CCN1
InChIInChI=1S/C13H19N3O/c1-14-12(17)13(7-10-16-13)6-2-3-11-4-8-15-9-5-11/h4-5,8-9,16H,2-3,6-7,10H2,1H3,(H,14,17)/t13-/m1/s1
InChIKeyAVDMJAXTGJLONV-CYBMUJFWSA-N
XLogP0.88
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-methyl-2-(3-pyridin-4-ylpropyl)azetidine-2-carboxamide?
The IUPAC name of (2R)-N-methyl-2-(3-pyridin-4-ylpropyl)azetidine-2-carboxamide (CID 95804902) is (2R)-N-methyl-2-(3-pyridin-4-ylpropyl)azetidine-2-carboxamide.
What is the SMILES notation for (2R)-N-methyl-2-(3-pyridin-4-ylpropyl)azetidine-2-carboxamide?
The canonical SMILES for (2R)-N-methyl-2-(3-pyridin-4-ylpropyl)azetidine-2-carboxamide is CNC(=O)[C@@]1(CCCc2ccncc2)CCN1.
What is the InChIKey of (2R)-N-methyl-2-(3-pyridin-4-ylpropyl)azetidine-2-carboxamide?
The InChIKey is AVDMJAXTGJLONV-CYBMUJFWSA-N. The full InChI is InChI=1S/C13H19N3O/c1-14-12(17)13(7-10-16-13)6-2-3-11-4-8-15-9-5-11/h4-5,8-9,16H,2-3,6-7,10H2,1H3,(H,14,17)/t13-/m1/s1.
What are the key properties of (2R)-N-methyl-2-(3-pyridin-4-ylpropyl)azetidine-2-carboxamide?
(2R)-N-methyl-2-(3-pyridin-4-ylpropyl)azetidine-2-carboxamide has a molecular weight of 233.31 g/mol, XLogP of 0.88, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-methyl-2-(3-pyridin-4-ylpropyl)azetidine-2-carboxamide is sourced from PubChem (CID 95804902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).