2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide

C18H21N3O3 — CID 109077649

IUPAC2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide
SMILESCCCNC(=O)c1ccnc(C(=O)NCc2ccc(OC)cc2)c1
InChIInChI=1S/C18H21N3O3/c1-3-9-20-17(22)14-8-10-19-16(11-14)18(23)21-12-13-4-6-15(24-2)7-5-13/h4-8,10-11H,3,9,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFOMXISKOZZKUQD-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.16
Rot. Bonds7

About 2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide

2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide (PubChem CID 109077649) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide
PubChem CID109077649
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide
SMILESCCCNC(=O)c1ccnc(C(=O)NCc2ccc(OC)cc2)c1
InChIInChI=1S/C18H21N3O3/c1-3-9-20-17(22)14-8-10-19-16(11-14)18(23)21-12-13-4-6-15(24-2)7-5-13/h4-8,10-11H,3,9,12H2,1-2H3,(H,20,22)(H,21,23)
InChIKeyFOMXISKOZZKUQD-UHFFFAOYSA-N
XLogP2.16
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-[(4-methoxyphenyl)methyl]-2-N-pentylpyridine-2,4-dicarboxamide
CID 109086884
4-N-(2-methoxyethyl)-2-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109082154
2-N-[(4-methoxyphenyl)methyl]-4-N-(3-methoxypropyl)pyridine-2,4-dicarboxamide
CID 109082506
2-N-(4-ethylphenyl)-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109086903
2-N-cyclohexyl-4-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109081527
4-N-[(4-methoxyphenyl)methyl]-2-N-phenylpyridine-2,4-dicarboxamide
CID 109086890
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612
4-N-(1,3-dihydro-2,1,3-benzothiadiazol-5-ylmethyl)-2-N-[(4-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 10181426
2-N-[(3,4-dimethoxyphenyl)methyl]-4-N-pentylpyridine-2,4-dicarboxamide
CID 109088557
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
2-N-butyl-4-N-[(4-fluorophenyl)methyl]pyridine-2,4-dicarboxamide
CID 109079398
4-N-benzyl-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082319

Frequently Asked Questions

What is the IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide?
The IUPAC name of 2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide (CID 109077649) is 2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide.
What is the SMILES notation for 2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide?
The canonical SMILES for 2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide is CCCNC(=O)c1ccnc(C(=O)NCc2ccc(OC)cc2)c1.
What is the InChIKey of 2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide?
The InChIKey is FOMXISKOZZKUQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-3-9-20-17(22)14-8-10-19-16(11-14)18(23)21-12-13-4-6-15(24-2)7-5-13/h4-8,10-11H,3,9,12H2,1-2H3,(H,20,22)(H,21,23).
What are the key properties of 2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide?
2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide has a molecular weight of 327.38 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-[(4-methoxyphenyl)methyl]-4-N-propylpyridine-2,4-dicarboxamide is sourced from PubChem (CID 109077649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).