3-N-[(2-methoxyphenyl)methyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide

C21H27N3O3 — CID 109105740

IUPAC3-N-[(2-methoxyphenyl)methyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cncc(C(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C21H27N3O3/c1-4-10-24(11-5-2)21(26)18-12-17(13-22-14-18)20(25)23-15-16-8-6-7-9-19(16)27-3/h6-9,12-14H,4-5,10-11,15H2,1-3H3,(H,23,25)
InChIKeyGEXRLYSEQFBXHU-UHFFFAOYSA-N
MW369.47 g/mol
LogP3.28
Rot. Bonds9

About 3-N-[(2-methoxyphenyl)methyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide

3-N-[(2-methoxyphenyl)methyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide (PubChem CID 109105740) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is 3-N-[(2-methoxyphenyl)methyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N-[(2-methoxyphenyl)methyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
PubChem CID109105740
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name3-N-[(2-methoxyphenyl)methyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
SMILESCCCN(CCC)C(=O)c1cncc(C(=O)NCc2ccccc2OC)c1
InChIInChI=1S/C21H27N3O3/c1-4-10-24(11-5-2)21(26)18-12-17(13-22-14-18)20(25)23-15-16-8-6-7-9-19(16)27-3/h6-9,12-14H,4-5,10-11,15H2,1-3H3,(H,23,25)
InChIKeyGEXRLYSEQFBXHU-UHFFFAOYSA-N
XLogP3.28
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-N-(2-methoxyphenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105762
N-[(2-methoxyphenyl)methyl]-5-(propylamino)pyridine-3-carboxamide
CID 109222992
5-(butylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109224564
N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 110466860
5-(2,6-diethylanilino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109234214
1-N-[2-(2-methoxyphenyl)ethyl]-3-N,3-N-dipropylbenzene-1,3-dicarboxamide
CID 109055465
3-N-[2-(2-fluorophenyl)ethyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109106315
5-N-(2-chlorophenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105759
5-N-(3-fluorophenyl)-3-N-[(2-methoxyphenyl)methyl]pyridine-3,5-dicarboxamide
CID 109105765
3-N-(furan-2-ylmethyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109104880
5-(cyclopropylamino)-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 109223782
3-N-(3-methoxypropyl)-5-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 109103626

Frequently Asked Questions

What is the IUPAC name of 3-N-[(2-methoxyphenyl)methyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide?
The IUPAC name of 3-N-[(2-methoxyphenyl)methyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide (CID 109105740) is 3-N-[(2-methoxyphenyl)methyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 3-N-[(2-methoxyphenyl)methyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide?
The canonical SMILES for 3-N-[(2-methoxyphenyl)methyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide is CCCN(CCC)C(=O)c1cncc(C(=O)NCc2ccccc2OC)c1.
What is the InChIKey of 3-N-[(2-methoxyphenyl)methyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide?
The InChIKey is GEXRLYSEQFBXHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-4-10-24(11-5-2)21(26)18-12-17(13-22-14-18)20(25)23-15-16-8-6-7-9-19(16)27-3/h6-9,12-14H,4-5,10-11,15H2,1-3H3,(H,23,25).
What are the key properties of 3-N-[(2-methoxyphenyl)methyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide?
3-N-[(2-methoxyphenyl)methyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide has a molecular weight of 369.47 g/mol, XLogP of 3.28, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[(2-methoxyphenyl)methyl]-5-N,5-N-dipropylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109105740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).