4-N-(2-methoxy-5-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide

C20H25N3O3 — CID 109089696

IUPAC4-N-(2-methoxy-5-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccnc(C(=O)NCCC(C)C)c1
InChIInChI=1S/C20H25N3O3/c1-13(2)7-9-22-20(25)17-12-15(8-10-21-17)19(24)23-16-11-14(3)5-6-18(16)26-4/h5-6,8,10-13H,7,9H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyJVPCGEAOCYULRW-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.43
Rot. Bonds7

About 4-N-(2-methoxy-5-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide

4-N-(2-methoxy-5-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide (PubChem CID 109089696) has the molecular formula C20H25N3O3 and a molecular weight of 355.44 g/mol. Its IUPAC name is 4-N-(2-methoxy-5-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide.

Molecular Properties

Compound Name4-N-(2-methoxy-5-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
PubChem CID109089696
Molecular FormulaC20H25N3O3
Molecular Weight355.44 g/mol
Exact Mass355.19
IUPAC Name4-N-(2-methoxy-5-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
SMILESCOc1ccc(C)cc1NC(=O)c1ccnc(C(=O)NCCC(C)C)c1
InChIInChI=1S/C20H25N3O3/c1-13(2)7-9-22-20(25)17-12-15(8-10-21-17)19(24)23-16-11-14(3)5-6-18(16)26-4/h5-6,8,10-13H,7,9H2,1-4H3,(H,22,25)(H,23,24)
InChIKeyJVPCGEAOCYULRW-UHFFFAOYSA-N
XLogP3.43
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-N-(2-methoxy-5-methylphenyl)-2-N-(2-phenylethyl)pyridine-2,4-dicarboxamide
CID 109087816
2-N-[(2-fluorophenyl)methyl]-4-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086465
4-N-(2,5-dimethylphenyl)-2-N-(2-methoxyethyl)pyridine-2,4-dicarboxamide
CID 109082390
4-N-(3,4-dimethylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide
CID 109089662
4-N-(4-chlorophenyl)-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109092862
4-N-tert-butyl-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109089176
4-N-[(4-fluorophenyl)methyl]-2-N-(2-methoxy-5-methylphenyl)pyridine-2,4-dicarboxamide
CID 109086540
2-tert-butyl-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 4731310
2-(acetamidomethyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 112521184
2-(azepane-1-carbonyl)-N-(2-methoxy-5-methylphenyl)pyridine-4-carboxamide
CID 109090766
N-(2-methoxy-5-methylphenyl)-2-(2-methylpropylamino)pyrimidine-4-carboxamide
CID 109296824
ethyl N-[[4-[(2-methoxy-5-methylphenyl)carbamoyl]-2-pyridinyl]methyl]carbamate
CID 112521186

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-methoxy-5-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide?
The IUPAC name of 4-N-(2-methoxy-5-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide (CID 109089696) is 4-N-(2-methoxy-5-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide.
What is the SMILES notation for 4-N-(2-methoxy-5-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide?
The canonical SMILES for 4-N-(2-methoxy-5-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide is COc1ccc(C)cc1NC(=O)c1ccnc(C(=O)NCCC(C)C)c1.
What is the InChIKey of 4-N-(2-methoxy-5-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide?
The InChIKey is JVPCGEAOCYULRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O3/c1-13(2)7-9-22-20(25)17-12-15(8-10-21-17)19(24)23-16-11-14(3)5-6-18(16)26-4/h5-6,8,10-13H,7,9H2,1-4H3,(H,22,25)(H,23,24).
What are the key properties of 4-N-(2-methoxy-5-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide?
4-N-(2-methoxy-5-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide has a molecular weight of 355.44 g/mol, XLogP of 3.43, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-methoxy-5-methylphenyl)-2-N-(3-methylbutyl)pyridine-2,4-dicarboxamide is sourced from PubChem (CID 109089696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).