5-chloro-N-(2-ethoxypropyl)-2-(methylamino)pyridine-4-carboxamide

C12H18ClN3O2 — CID 114924522

IUPAC5-chloro-N-(2-ethoxypropyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCCOC(C)CNC(=O)c1cc(NC)ncc1Cl
InChIInChI=1S/C12H18ClN3O2/c1-4-18-8(2)6-16-12(17)9-5-11(14-3)15-7-10(9)13/h5,7-8H,4,6H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyMSGQBSUGYILBDY-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.93
Rot. Bonds6

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

5-chloro-N-(2-ethoxypropyl)-2-(methylamino)pyridine-4-carboxamide (PubChem CID 114924522) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 5-chloro-N-(2-ethoxypropyl)-2-(methylamino)pyridine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-N-(2-ethoxypropyl)-2-(methylamino)pyridine-4-carboxamide
PubChem CID114924522
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name5-chloro-N-(2-ethoxypropyl)-2-(methylamino)pyridine-4-carboxamide
SMILESCCOC(C)CNC(=O)c1cc(NC)ncc1Cl
InChIInChI=1S/C12H18ClN3O2/c1-4-18-8(2)6-16-12(17)9-5-11(14-3)15-7-10(9)13/h5,7-8H,4,6H2,1-3H3,(H,14,15)(H,16,17)
InChIKeyMSGQBSUGYILBDY-UHFFFAOYSA-N
XLogP1.93
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-(2-ethoxypropyl)-2-(methylamino)pyridine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-N-(2,2-difluoroethyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924242
5-chloro-N-(2-cyclopropylpropyl)-2-(methylamino)pyridine-4-carboxamide
CID 114924516
5-chloro-2-(methylamino)-N-[2-oxo-2-(propan-2-ylamino)ethyl]pyridine-4-carboxamide
CID 114922352
2-chloro-N-(2-ethoxypropyl)-6-(methylamino)pyridine-4-carboxamide
CID 115649303
N-(2-acetamidoethyl)-5-chloro-2-(methylamino)pyridine-4-carboxamide
CID 114922273
5-chloro-2-(methylamino)-N-[1-oxo-1-(propylamino)propan-2-yl]pyridine-4-carboxamide
CID 114923191
5-chloro-N-(2-ethoxypropyl)-2-(methylamino)benzamide
CID 113478170
5-chloro-N-(2,3-dimethylbutyl)-2-(ethylamino)pyridine-4-carboxamide
CID 114923804
2,4-dichloro-N-(2-ethoxypropyl)-5-sulfamoylbenzamide
CID 115665377
5-chloro-N-[2-(dimethylcarbamoylamino)ethyl]-2-(methylamino)pyridine-4-carboxamide
CID 114924347
5-chloro-N-(1-methoxy-3-methylbutan-2-yl)-2-(methylamino)pyridine-4-carboxamide
CID 114923860
5-chloro-2-(methylamino)-N-(1H-pyrazol-4-ylmethyl)pyridine-4-carboxamide
CID 114923162

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-(2-ethoxypropyl)-2-(methylamino)pyridine-4-carboxamide?
The IUPAC name of 5-chloro-N-(2-ethoxypropyl)-2-(methylamino)pyridine-4-carboxamide (CID 114924522) is 5-chloro-N-(2-ethoxypropyl)-2-(methylamino)pyridine-4-carboxamide.
What is the SMILES notation for 5-chloro-N-(2-ethoxypropyl)-2-(methylamino)pyridine-4-carboxamide?
The canonical SMILES for 5-chloro-N-(2-ethoxypropyl)-2-(methylamino)pyridine-4-carboxamide is CCOC(C)CNC(=O)c1cc(NC)ncc1Cl.
What is the InChIKey of 5-chloro-N-(2-ethoxypropyl)-2-(methylamino)pyridine-4-carboxamide?
The InChIKey is MSGQBSUGYILBDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-4-18-8(2)6-16-12(17)9-5-11(14-3)15-7-10(9)13/h5,7-8H,4,6H2,1-3H3,(H,14,15)(H,16,17).
What are the key properties of 5-chloro-N-(2-ethoxypropyl)-2-(methylamino)pyridine-4-carboxamide?
5-chloro-N-(2-ethoxypropyl)-2-(methylamino)pyridine-4-carboxamide has a molecular weight of 271.75 g/mol, XLogP of 1.93, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-(2-ethoxypropyl)-2-(methylamino)pyridine-4-carboxamide is sourced from PubChem (CID 114924522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).