3-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-2-carboxamide

C12H16ClN3O2 — CID 114120793

IUPAC3-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NC2CC(OC)C2)n1
InChIInChI=1S/C12H16ClN3O2/c1-14-10-4-3-9(13)11(16-10)12(17)15-7-5-8(6-7)18-2/h3-4,7-8H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyVMGBUTNKJSQYPB-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.68
Rot. Bonds4

About 3-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-2-carboxamide

3-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-2-carboxamide (PubChem CID 114120793) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 3-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-2-carboxamide
PubChem CID114120793
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name3-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-2-carboxamide
SMILESCNc1ccc(Cl)c(C(=O)NC2CC(OC)C2)n1
InChIInChI=1S/C12H16ClN3O2/c1-14-10-4-3-9(13)11(16-10)12(17)15-7-5-8(6-7)18-2/h3-4,7-8H,5-6H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyVMGBUTNKJSQYPB-UHFFFAOYSA-N
XLogP1.68
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.73
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-2-carboxamide (CID 114120793) is 3-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-2-carboxamide is CNc1ccc(Cl)c(C(=O)NC2CC(OC)C2)n1.
What is the InChIKey of 3-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-2-carboxamide?
The InChIKey is VMGBUTNKJSQYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-14-10-4-3-9(13)11(16-10)12(17)15-7-5-8(6-7)18-2/h3-4,7-8H,5-6H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of 3-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-2-carboxamide?
3-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-2-carboxamide has a molecular weight of 269.73 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-methoxycyclobutyl)-6-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 114120793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).