3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-6-(propylamino)pyridine-2-carboxamide

C15H24ClN3O2 — CID 62179763

IUPAC3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)N(CC)C(C)COC)n1
InChIInChI=1S/C15H24ClN3O2/c1-5-9-17-13-8-7-12(16)14(18-13)15(20)19(6-2)11(3)10-21-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,17,18)
InChIKeyROFOQYCGXIMCFJ-UHFFFAOYSA-N
MW313.83 g/mol
LogP3.05
Rot. Bonds8

About 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-6-(propylamino)pyridine-2-carboxamide

3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-6-(propylamino)pyridine-2-carboxamide (PubChem CID 62179763) has the molecular formula C15H24ClN3O2 and a molecular weight of 313.83 g/mol. Its IUPAC name is 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-6-(propylamino)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-6-(propylamino)pyridine-2-carboxamide
PubChem CID62179763
Molecular FormulaC15H24ClN3O2
Molecular Weight313.83 g/mol
Exact Mass313.16
IUPAC Name3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-6-(propylamino)pyridine-2-carboxamide
SMILESCCCNc1ccc(Cl)c(C(=O)N(CC)C(C)COC)n1
InChIInChI=1S/C15H24ClN3O2/c1-5-9-17-13-8-7-12(16)14(18-13)15(20)19(6-2)11(3)10-21-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,17,18)
InChIKeyROFOQYCGXIMCFJ-UHFFFAOYSA-N
XLogP3.05
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.83
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-chloro-N-ethyl-6-(ethylamino)-N-(1-methoxypropan-2-yl)pyridine-2-carboxamide
CID 62179595
3-chloro-N-(1-methoxypropan-2-yl)-N-methyl-6-(propylamino)pyridine-2-carboxamide
CID 62179080
3-chloro-N-[1-(dimethylamino)propan-2-yl]-N-ethyl-6-(ethylamino)pyridine-2-carboxamide
CID 103191078
3-chloro-N-(2-methylbutyl)-6-(propylamino)pyridine-2-carboxamide
CID 62691457
3-chloro-6-(ethylamino)-N-propan-2-yl-N-propylpyridine-2-carboxamide
CID 62169311
3-chloro-N-(3-ethoxypropyl)-6-(propylamino)pyridine-2-carboxamide
CID 62165038
N-ethyl-N-(1-methoxypropan-2-yl)-2-(propylamino)pyridine-3-carboxamide
CID 62181530
3-chloro-N-(2,2-dimethylpropyl)-6-(propylamino)pyridine-2-carboxamide
CID 55046891
N-butyl-3-chloro-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide
CID 62180165
N-butan-2-yl-N-butyl-3-chloro-6-(ethylamino)pyridine-2-carboxamide
CID 62176971
3-chloro-N-(2,2-difluoroethyl)-N-(2-hydroxyethyl)-6-(propylamino)pyridine-2-carboxamide
CID 107485986
3-chloro-N-pentan-3-yl-6-(propylamino)pyridine-2-carboxamide
CID 62171311

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-6-(propylamino)pyridine-2-carboxamide?
The IUPAC name of 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-6-(propylamino)pyridine-2-carboxamide (CID 62179763) is 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-6-(propylamino)pyridine-2-carboxamide.
What is the SMILES notation for 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-6-(propylamino)pyridine-2-carboxamide?
The canonical SMILES for 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-6-(propylamino)pyridine-2-carboxamide is CCCNc1ccc(Cl)c(C(=O)N(CC)C(C)COC)n1.
What is the InChIKey of 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-6-(propylamino)pyridine-2-carboxamide?
The InChIKey is ROFOQYCGXIMCFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24ClN3O2/c1-5-9-17-13-8-7-12(16)14(18-13)15(20)19(6-2)11(3)10-21-4/h7-8,11H,5-6,9-10H2,1-4H3,(H,17,18).
What are the key properties of 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-6-(propylamino)pyridine-2-carboxamide?
3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-6-(propylamino)pyridine-2-carboxamide has a molecular weight of 313.83 g/mol, XLogP of 3.05, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-ethyl-N-(1-methoxypropan-2-yl)-6-(propylamino)pyridine-2-carboxamide is sourced from PubChem (CID 62179763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).