3-chloro-N-(1-ethoxypropan-2-yl)-6-(methylamino)pyridine-2-carboxamide

C12H18ClN3O2 — CID 55047188

IUPAC3-chloro-N-(1-ethoxypropan-2-yl)-6-(methylamino)pyridine-2-carboxamide
SMILESCCOCC(C)NC(=O)c1nc(NC)ccc1Cl
InChIInChI=1S/C12H18ClN3O2/c1-4-18-7-8(2)15-12(17)11-9(13)5-6-10(14-3)16-11/h5-6,8H,4,7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyRKIKFXKTFFYEDP-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.93
Rot. Bonds6

About 3-chloro-N-(1-ethoxypropan-2-yl)-6-(methylamino)pyridine-2-carboxamide

3-chloro-N-(1-ethoxypropan-2-yl)-6-(methylamino)pyridine-2-carboxamide (PubChem CID 55047188) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is 3-chloro-N-(1-ethoxypropan-2-yl)-6-(methylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-(1-ethoxypropan-2-yl)-6-(methylamino)pyridine-2-carboxamide
PubChem CID55047188
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name3-chloro-N-(1-ethoxypropan-2-yl)-6-(methylamino)pyridine-2-carboxamide
SMILESCCOCC(C)NC(=O)c1nc(NC)ccc1Cl
InChIInChI=1S/C12H18ClN3O2/c1-4-18-7-8(2)15-12(17)11-9(13)5-6-10(14-3)16-11/h5-6,8H,4,7H2,1-3H3,(H,14,16)(H,15,17)
InChIKeyRKIKFXKTFFYEDP-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

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Related Compounds

3-chloro-6-(methylamino)-N-(1-methylsulfanylpropan-2-yl)pyridine-2-carboxamide
CID 113473020
3-chloro-N-(1-imidazol-1-ylpropan-2-yl)-6-(methylamino)pyridine-2-carboxamide
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3-chloro-6-(ethylamino)-N-(5-methylhexan-2-yl)pyridine-2-carboxamide
CID 63925355
3-chloro-N-[1-(2-chlorophenyl)ethyl]-6-(methylamino)pyridine-2-carboxamide
CID 62175178
3-chloro-N-[2-(2-methoxyethoxy)ethyl]-6-(methylamino)pyridine-2-carboxamide
CID 62179799
3-chloro-N-(cyclobutylmethyl)-6-(methylamino)pyridine-2-carboxamide
CID 55042718
3-chloro-6-hydrazinyl-N-(3-methylpentan-2-yl)pyridine-2-carboxamide
CID 62249778
3-chloro-6-(methylamino)-N-[3-[methyl(propan-2-yl)amino]propyl]pyridine-2-carboxamide
CID 106050247
N-(2-acetamidoethyl)-3-chloro-6-(methylamino)pyridine-2-carboxamide
CID 62170062
3-chloro-N-(4-ethylphenyl)-6-(methylamino)pyridine-2-carboxamide
CID 62167458
3-chloro-N-[4-(dimethylamino)butan-2-yl]-6-(propylamino)pyridine-2-carboxamide
CID 62177024
3-chloro-N,N-diethyl-6-(methylamino)pyridine-2-carboxamide
CID 62173042

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(1-ethoxypropan-2-yl)-6-(methylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-(1-ethoxypropan-2-yl)-6-(methylamino)pyridine-2-carboxamide (CID 55047188) is 3-chloro-N-(1-ethoxypropan-2-yl)-6-(methylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-(1-ethoxypropan-2-yl)-6-(methylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-(1-ethoxypropan-2-yl)-6-(methylamino)pyridine-2-carboxamide is CCOCC(C)NC(=O)c1nc(NC)ccc1Cl.
What is the InChIKey of 3-chloro-N-(1-ethoxypropan-2-yl)-6-(methylamino)pyridine-2-carboxamide?
The InChIKey is RKIKFXKTFFYEDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-4-18-7-8(2)15-12(17)11-9(13)5-6-10(14-3)16-11/h5-6,8H,4,7H2,1-3H3,(H,14,16)(H,15,17).
What are the key properties of 3-chloro-N-(1-ethoxypropan-2-yl)-6-(methylamino)pyridine-2-carboxamide?
3-chloro-N-(1-ethoxypropan-2-yl)-6-(methylamino)pyridine-2-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 3-chloro-N-(1-ethoxypropan-2-yl)-6-(methylamino)pyridine-2-carboxamide is sourced from PubChem (CID 55047188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).