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

C17H21N3O2 — CID 133469099

IUPAC4-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide
SMILESCOc1ccc(C(C)(C)CNc2ccncc2C(N)=O)cc1
InChIInChI=1S/C17H21N3O2/c1-17(2,12-4-6-13(22-3)7-5-12)11-20-15-8-9-19-10-14(15)16(18)21/h4-10H,11H2,1-3H3,(H2,18,21)(H,19,20)
InChIKeySIIDDIKMEHKKHI-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.58
Rot. Bonds6

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

4-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide (PubChem CID 133469099) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide
PubChem CID133469099
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name4-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide
SMILESCOc1ccc(C(C)(C)CNc2ccncc2C(N)=O)cc1
InChIInChI=1S/C17H21N3O2/c1-17(2,12-4-6-13(22-3)7-5-12)11-20-15-8-9-19-10-14(15)16(18)21/h4-10H,11H2,1-3H3,(H2,18,21)(H,19,20)
InChIKeySIIDDIKMEHKKHI-UHFFFAOYSA-N
XLogP2.58
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide
CID 133470525
4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide
CID 133469009
4-[[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]amino]pyridine-3-carboxamide
CID 133454947
4-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]pyridine-3-carboxamide
CID 133454925
4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide
CID 133455073
3-(4-methoxyphenyl)-3-methylbutanamide
CID 50995659
4-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide
CID 133442516
4-[[2-hydroxy-3-(4-iodophenoxy)propyl]amino]pyridine-3-carboxamide
CID 133469940
4-(2,2-dimethylpropylamino)pyridine-3-carboxylic acid
CID 81233154
4-[[4-propan-2-yloxy-2-(trifluoromethyl)phenyl]methylamino]pyridine-3-carboxamide
CID 133469822
4-hydrazinyl-N-(4-methoxyphenyl)pyridine-3-carboxamide
CID 81255713
4-(2-hydroxypentylamino)pyridine-3-carboxamide
CID 133454771

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide?
The IUPAC name of 4-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide (CID 133469099) is 4-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide?
The canonical SMILES for 4-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide is COc1ccc(C(C)(C)CNc2ccncc2C(N)=O)cc1.
What is the InChIKey of 4-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide?
The InChIKey is SIIDDIKMEHKKHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-17(2,12-4-6-13(22-3)7-5-12)11-20-15-8-9-19-10-14(15)16(18)21/h4-10H,11H2,1-3H3,(H2,18,21)(H,19,20).
What are the key properties of 4-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide?
4-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide has a molecular weight of 299.37 g/mol, XLogP of 2.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide is sourced from PubChem (CID 133469099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).