N-(4-chloro-3-pyridin-2-ylphenyl)-2-ethyl-4-methylazetidine-1-carboxamide

C18H20ClN3O — CID 169176999

IUPACN-(4-chloro-3-pyridin-2-ylphenyl)-2-ethyl-4-methylazetidine-1-carboxamide
SMILESCCC1CC(C)N1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1
InChIInChI=1S/C18H20ClN3O/c1-3-14-10-12(2)22(14)18(23)21-13-7-8-16(19)15(11-13)17-6-4-5-9-20-17/h4-9,11-12,14H,3,10H2,1-2H3,(H,21,23)
InChIKeyAFBLGLJNZXWVKI-UHFFFAOYSA-N
MW329.83 g/mol
LogP4.81
Rot. Bonds3

About N-(4-chloro-3-pyridin-2-ylphenyl)-2-ethyl-4-methylazetidine-1-carboxamide

N-(4-chloro-3-pyridin-2-ylphenyl)-2-ethyl-4-methylazetidine-1-carboxamide (PubChem CID 169176999) has the molecular formula C18H20ClN3O and a molecular weight of 329.83 g/mol. Its IUPAC name is N-(4-chloro-3-pyridin-2-ylphenyl)-2-ethyl-4-methylazetidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridin-2-ylphenyl)-2-ethyl-4-methylazetidine-1-carboxamide
PubChem CID169176999
Molecular FormulaC18H20ClN3O
Molecular Weight329.83 g/mol
Exact Mass329.13
IUPAC NameN-(4-chloro-3-pyridin-2-ylphenyl)-2-ethyl-4-methylazetidine-1-carboxamide
SMILESCCC1CC(C)N1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1
InChIInChI=1S/C18H20ClN3O/c1-3-14-10-12(2)22(14)18(23)21-13-7-8-16(19)15(11-13)17-6-4-5-9-20-17/h4-9,11-12,14H,3,10H2,1-2H3,(H,21,23)
InChIKeyAFBLGLJNZXWVKI-UHFFFAOYSA-N
XLogP4.81
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.83
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-2-ethyl-4-methylazetidine-1-carboxamide?
The IUPAC name of N-(4-chloro-3-pyridin-2-ylphenyl)-2-ethyl-4-methylazetidine-1-carboxamide (CID 169176999) is N-(4-chloro-3-pyridin-2-ylphenyl)-2-ethyl-4-methylazetidine-1-carboxamide.
What is the SMILES notation for N-(4-chloro-3-pyridin-2-ylphenyl)-2-ethyl-4-methylazetidine-1-carboxamide?
The canonical SMILES for N-(4-chloro-3-pyridin-2-ylphenyl)-2-ethyl-4-methylazetidine-1-carboxamide is CCC1CC(C)N1C(=O)Nc1ccc(Cl)c(-c2ccccn2)c1.
What is the InChIKey of N-(4-chloro-3-pyridin-2-ylphenyl)-2-ethyl-4-methylazetidine-1-carboxamide?
The InChIKey is AFBLGLJNZXWVKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O/c1-3-14-10-12(2)22(14)18(23)21-13-7-8-16(19)15(11-13)17-6-4-5-9-20-17/h4-9,11-12,14H,3,10H2,1-2H3,(H,21,23).
What are the key properties of N-(4-chloro-3-pyridin-2-ylphenyl)-2-ethyl-4-methylazetidine-1-carboxamide?
N-(4-chloro-3-pyridin-2-ylphenyl)-2-ethyl-4-methylazetidine-1-carboxamide has a molecular weight of 329.83 g/mol, XLogP of 4.81, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridin-2-ylphenyl)-2-ethyl-4-methylazetidine-1-carboxamide is sourced from PubChem (CID 169176999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).