5-N-(4-phenylmethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide

C23H23N3O3 — CID 109101290

IUPAC5-N-(4-phenylmethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide
SMILESCCCNC(=O)c1cncc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C23H23N3O3/c1-2-12-25-22(27)18-13-19(15-24-14-18)23(28)26-20-8-10-21(11-9-20)29-16-17-6-4-3-5-7-17/h3-11,13-15H,2,12,16H2,1H3,(H,25,27)(H,26,28)
InChIKeyQDQRPZNSQGETEF-UHFFFAOYSA-N
MW389.46 g/mol
LogP4.05
Rot. Bonds8

About 5-N-(4-phenylmethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide

5-N-(4-phenylmethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide (PubChem CID 109101290) has the molecular formula C23H23N3O3 and a molecular weight of 389.46 g/mol. Its IUPAC name is 5-N-(4-phenylmethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide.

Molecular Properties

Compound Name5-N-(4-phenylmethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide
PubChem CID109101290
Molecular FormulaC23H23N3O3
Molecular Weight389.46 g/mol
Exact Mass389.17
IUPAC Name5-N-(4-phenylmethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide
SMILESCCCNC(=O)c1cncc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1
InChIInChI=1S/C23H23N3O3/c1-2-12-25-22(27)18-13-19(15-24-14-18)23(28)26-20-8-10-21(11-9-20)29-16-17-6-4-3-5-7-17/h3-11,13-15H,2,12,16H2,1H3,(H,25,27)(H,26,28)
InChIKeyQDQRPZNSQGETEF-UHFFFAOYSA-N
XLogP4.05
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.46
LogP ≤ 54.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(butylamino)-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 109224692
4-phenylmethoxy-N-propylbenzamide
CID 4958389
5-[2-(dimethylamino)ethylamino]-N-(4-phenylmethoxyphenyl)pyridine-3-carboxamide
CID 109229412
N-(4-phenylmethoxyphenyl)-2-(propylamino)pyridine-4-carboxamide
CID 109165135
5-N-(4-tert-butylphenyl)-3-N-propylpyridine-3,5-dicarboxamide
CID 109101242
N-[4-(4-phenylmethoxyanilino)phenyl]pyridine-3-carboxamide
CID 112988913
5-N-(4-acetylphenyl)-3-N-(2-phenylethyl)pyridine-3,5-dicarboxamide
CID 109106239
3,5-dimethoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 2791610
5-[(4-ethoxyphenyl)carbamoyl]-3-phenylmethoxypyridine-2-carboxylic acid
CID 22923804
3-N,5-N-dipropylpyridine-3,5-dicarboxamide
CID 47231705
4-heptoxy-N-(4-phenylmethoxyphenyl)benzamide
CID 4950725
5-[benzyl(methyl)amino]-N-(4-ethoxyphenyl)pyridine-3-carboxamide
CID 109233234

Frequently Asked Questions

What is the IUPAC name of 5-N-(4-phenylmethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide?
The IUPAC name of 5-N-(4-phenylmethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide (CID 109101290) is 5-N-(4-phenylmethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide.
What is the SMILES notation for 5-N-(4-phenylmethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide?
The canonical SMILES for 5-N-(4-phenylmethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide is CCCNC(=O)c1cncc(C(=O)Nc2ccc(OCc3ccccc3)cc2)c1.
What is the InChIKey of 5-N-(4-phenylmethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide?
The InChIKey is QDQRPZNSQGETEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3/c1-2-12-25-22(27)18-13-19(15-24-14-18)23(28)26-20-8-10-21(11-9-20)29-16-17-6-4-3-5-7-17/h3-11,13-15H,2,12,16H2,1H3,(H,25,27)(H,26,28).
What are the key properties of 5-N-(4-phenylmethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide?
5-N-(4-phenylmethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide has a molecular weight of 389.46 g/mol, XLogP of 4.05, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-N-(4-phenylmethoxyphenyl)-3-N-propylpyridine-3,5-dicarboxamide is sourced from PubChem (CID 109101290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).