N-(5-chloro-3-pyridinyl)-3-(hydroxymethyl)azetidine-1-carboxamide

C10H12ClN3O2 — CID 138025858

IUPACN-(5-chloro-3-pyridinyl)-3-(hydroxymethyl)azetidine-1-carboxamide
SMILESO=C(Nc1cncc(Cl)c1)N1CC(CO)C1
InChIInChI=1S/C10H12ClN3O2/c11-8-1-9(3-12-2-8)13-10(16)14-4-7(5-14)6-15/h1-3,7,15H,4-6H2,(H,13,16)
InChIKeyJDNXFHWTDNSUAD-UHFFFAOYSA-N
MW241.68 g/mol
LogP1.19
Rot. Bonds2

About N-(5-chloro-3-pyridinyl)-3-(hydroxymethyl)azetidine-1-carboxamide

N-(5-chloro-3-pyridinyl)-3-(hydroxymethyl)azetidine-1-carboxamide (PubChem CID 138025858) has the molecular formula C10H12ClN3O2 and a molecular weight of 241.68 g/mol. Its IUPAC name is N-(5-chloro-3-pyridinyl)-3-(hydroxymethyl)azetidine-1-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-3-pyridinyl)-3-(hydroxymethyl)azetidine-1-carboxamide
PubChem CID138025858
Molecular FormulaC10H12ClN3O2
Molecular Weight241.68 g/mol
Exact Mass241.06
IUPAC NameN-(5-chloro-3-pyridinyl)-3-(hydroxymethyl)azetidine-1-carboxamide
SMILESO=C(Nc1cncc(Cl)c1)N1CC(CO)C1
InChIInChI=1S/C10H12ClN3O2/c11-8-1-9(3-12-2-8)13-10(16)14-4-7(5-14)6-15/h1-3,7,15H,4-6H2,(H,13,16)
InChIKeyJDNXFHWTDNSUAD-UHFFFAOYSA-N
XLogP1.19
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.68
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-3-pyridinyl)-3-(hydroxymethyl)azetidine-1-carboxamide?
The IUPAC name of N-(5-chloro-3-pyridinyl)-3-(hydroxymethyl)azetidine-1-carboxamide (CID 138025858) is N-(5-chloro-3-pyridinyl)-3-(hydroxymethyl)azetidine-1-carboxamide.
What is the SMILES notation for N-(5-chloro-3-pyridinyl)-3-(hydroxymethyl)azetidine-1-carboxamide?
The canonical SMILES for N-(5-chloro-3-pyridinyl)-3-(hydroxymethyl)azetidine-1-carboxamide is O=C(Nc1cncc(Cl)c1)N1CC(CO)C1.
What is the InChIKey of N-(5-chloro-3-pyridinyl)-3-(hydroxymethyl)azetidine-1-carboxamide?
The InChIKey is JDNXFHWTDNSUAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClN3O2/c11-8-1-9(3-12-2-8)13-10(16)14-4-7(5-14)6-15/h1-3,7,15H,4-6H2,(H,13,16).
What are the key properties of N-(5-chloro-3-pyridinyl)-3-(hydroxymethyl)azetidine-1-carboxamide?
N-(5-chloro-3-pyridinyl)-3-(hydroxymethyl)azetidine-1-carboxamide has a molecular weight of 241.68 g/mol, XLogP of 1.19, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-3-pyridinyl)-3-(hydroxymethyl)azetidine-1-carboxamide is sourced from PubChem (CID 138025858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).