2-N-[2-(3-methoxyphenyl)ethyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide

C22H29N3O3 — CID 109098644

IUPAC2-N-[2-(3-methoxyphenyl)ethyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)NCCc2cccc(OC)c2)n1
InChIInChI=1S/C22H29N3O3/c1-4-14-25(15-5-2)22(27)20-11-7-10-19(24-20)21(26)23-13-12-17-8-6-9-18(16-17)28-3/h6-11,16H,4-5,12-15H2,1-3H3,(H,23,26)
InChIKeyFYOKTUBJLBLINK-UHFFFAOYSA-N
MW383.49 g/mol
LogP3.32
Rot. Bonds10

About 2-N-[2-(3-methoxyphenyl)ethyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide

2-N-[2-(3-methoxyphenyl)ethyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide (PubChem CID 109098644) has the molecular formula C22H29N3O3 and a molecular weight of 383.49 g/mol. Its IUPAC name is 2-N-[2-(3-methoxyphenyl)ethyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide.

Molecular Properties

Compound Name2-N-[2-(3-methoxyphenyl)ethyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
PubChem CID109098644
Molecular FormulaC22H29N3O3
Molecular Weight383.49 g/mol
Exact Mass383.22
IUPAC Name2-N-[2-(3-methoxyphenyl)ethyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cccc(C(=O)NCCc2cccc(OC)c2)n1
InChIInChI=1S/C22H29N3O3/c1-4-14-25(15-5-2)22(27)20-11-7-10-19(24-20)21(26)23-13-12-17-8-6-9-18(16-17)28-3/h6-11,16H,4-5,12-15H2,1-3H3,(H,23,26)
InChIKeyFYOKTUBJLBLINK-UHFFFAOYSA-N
XLogP3.32
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.49
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-N-butyl-2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methylpyridine-2,6-dicarboxamide
CID 109098641
2-N-[2-(3-methoxyphenyl)ethyl]-6-N-methyl-6-N-phenylpyridine-2,6-dicarboxamide
CID 109098650
3-(3-methoxyphenyl)-N,N-dipropylpropanamide
CID 86913065
2-N-pentyl-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109099433
6-(diethylamino)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidine-4-carboxamide
CID 109372125
6-(diethylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109351354
5-(butylamino)-N-[2-(3-methoxyphenyl)ethyl]pyrazine-2-carboxamide
CID 109272575
6-[2-(3-methoxyphenyl)ethylamino]-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360220
N,N-diethyl-2-[2-(3-methoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109308681
4-(dipropylsulfamoyl)-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 54233472
2-N-[(3-methylphenyl)methyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide
CID 109097438
3,5-dibromo-N-[2-(3-methoxyphenyl)ethyl]benzamide
CID 107980616

Frequently Asked Questions

What is the IUPAC name of 2-N-[2-(3-methoxyphenyl)ethyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide?
The IUPAC name of 2-N-[2-(3-methoxyphenyl)ethyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide (CID 109098644) is 2-N-[2-(3-methoxyphenyl)ethyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide.
What is the SMILES notation for 2-N-[2-(3-methoxyphenyl)ethyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide?
The canonical SMILES for 2-N-[2-(3-methoxyphenyl)ethyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide is CCCN(CCC)C(=O)c1cccc(C(=O)NCCc2cccc(OC)c2)n1.
What is the InChIKey of 2-N-[2-(3-methoxyphenyl)ethyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide?
The InChIKey is FYOKTUBJLBLINK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O3/c1-4-14-25(15-5-2)22(27)20-11-7-10-19(24-20)21(26)23-13-12-17-8-6-9-18(16-17)28-3/h6-11,16H,4-5,12-15H2,1-3H3,(H,23,26).
What are the key properties of 2-N-[2-(3-methoxyphenyl)ethyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide?
2-N-[2-(3-methoxyphenyl)ethyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide has a molecular weight of 383.49 g/mol, XLogP of 3.32, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[2-(3-methoxyphenyl)ethyl]-6-N,6-N-dipropylpyridine-2,6-dicarboxamide is sourced from PubChem (CID 109098644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).