5-chloro-N-(3-methoxycyclobutyl)-2-(methylamino)pyridine-4-carboxamide

C12H16ClN3O2 — CID 114120804

IUPAC5-chloro-N-(3-methoxycyclobutyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NC2CC(OC)C2)c(Cl)cn1
InChIInChI=1S/C12H16ClN3O2/c1-14-11-5-9(10(13)6-15-11)12(17)16-7-3-8(4-7)18-2/h5-8H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyHEBZQUFZXGEHGW-UHFFFAOYSA-N
MW269.73 g/mol
LogP1.68
Rot. Bonds4

About 5-chloro-N-(3-methoxycyclobutyl)-2-(methylamino)pyridine-4-carboxamide

5-chloro-N-(3-methoxycyclobutyl)-2-(methylamino)pyridine-4-carboxamide (PubChem CID 114120804) has the molecular formula C12H16ClN3O2 and a molecular weight of 269.73 g/mol. Its IUPAC name is 5-chloro-N-(3-methoxycyclobutyl)-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(3-methoxycyclobutyl)-2-(methylamino)pyridine-4-carboxamide
PubChem CID114120804
Molecular FormulaC12H16ClN3O2
Molecular Weight269.73 g/mol
Exact Mass269.09
IUPAC Name5-chloro-N-(3-methoxycyclobutyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCNc1cc(C(=O)NC2CC(OC)C2)c(Cl)cn1
InChIInChI=1S/C12H16ClN3O2/c1-14-11-5-9(10(13)6-15-11)12(17)16-7-3-8(4-7)18-2/h5-8H,3-4H2,1-2H3,(H,14,15)(H,16,17)
InChIKeyHEBZQUFZXGEHGW-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 5-chloro-N-(3-methoxycyclobutyl)-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(3-methoxycyclobutyl)-2-(methylamino)pyridine-4-carboxamide (CID 114120804) is 5-chloro-N-(3-methoxycyclobutyl)-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(3-methoxycyclobutyl)-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(3-methoxycyclobutyl)-2-(methylamino)pyridine-4-carboxamide is CNc1cc(C(=O)NC2CC(OC)C2)c(Cl)cn1.
What is the InChIKey of 5-chloro-N-(3-methoxycyclobutyl)-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is HEBZQUFZXGEHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O2/c1-14-11-5-9(10(13)6-15-11)12(17)16-7-3-8(4-7)18-2/h5-8H,3-4H2,1-2H3,(H,14,15)(H,16,17).
What are the key properties of 5-chloro-N-(3-methoxycyclobutyl)-2-(methylamino)pyridine-4-carboxamide?
5-chloro-N-(3-methoxycyclobutyl)-2-(methylamino)pyridine-4-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 5-chloro-N-(3-methoxycyclobutyl)-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114120804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).