4-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide

C18H23N3O3 — CID 133470525

IUPAC4-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide
SMILESCOc1ccc(C(C)(C)CNc2ccncc2C(N)=O)cc1OC
InChIInChI=1S/C18H23N3O3/c1-18(2,12-5-6-15(23-3)16(9-12)24-4)11-21-14-7-8-20-10-13(14)17(19)22/h5-10H,11H2,1-4H3,(H2,19,22)(H,20,21)
InChIKeyFYMRALDSMJBMJV-UHFFFAOYSA-N
MW329.40 g/mol
LogP2.59
Rot. Bonds7

About 4-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide

4-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide (PubChem CID 133470525) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 4-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide
PubChem CID133470525
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name4-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide
SMILESCOc1ccc(C(C)(C)CNc2ccncc2C(N)=O)cc1OC
InChIInChI=1S/C18H23N3O3/c1-18(2,12-5-6-15(23-3)16(9-12)24-4)11-21-14-7-8-20-10-13(14)17(19)22/h5-10H,11H2,1-4H3,(H2,19,22)(H,20,21)
InChIKeyFYMRALDSMJBMJV-UHFFFAOYSA-N
XLogP2.59
TPSA86.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide
CID 133469099
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]pyridin-3-amine
CID 82538489
4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide
CID 133469009
4-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]pyridine-3-carboxamide
CID 133454925
1-(3,4-dimethoxyphenyl)-3-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]urea
CID 113213805
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
CID 119945325
4-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]pyridine-3-carboxamide
CID 133454947
4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide
CID 133455073
1-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]cyclohexane-1-carboxamide
CID 119320138
2-chloro-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]benzamide
CID 110441966
2-amino-N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-2-phenylpropanamide
CID 120591873
N-[2-(3,4-dimethoxyphenyl)-2-methylpropyl]-1-methyltriazole-4-carboxamide
CID 110438508

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide?
The IUPAC name of 4-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide (CID 133470525) is 4-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide is COc1ccc(C(C)(C)CNc2ccncc2C(N)=O)cc1OC.
What is the InChIKey of 4-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide?
The InChIKey is FYMRALDSMJBMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-18(2,12-5-6-15(23-3)16(9-12)24-4)11-21-14-7-8-20-10-13(14)17(19)22/h5-10H,11H2,1-4H3,(H2,19,22)(H,20,21).
What are the key properties of 4-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide?
4-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 2.59, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 133470525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).