4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide

C17H21N3O — CID 133469009

IUPAC4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(CNc2ccncc2C(N)=O)cc1
InChIInChI=1S/C17H21N3O/c1-17(2,3)13-6-4-12(5-7-13)10-20-15-8-9-19-11-14(15)16(18)21/h4-9,11H,10H2,1-3H3,(H2,18,21)(H,19,20)
InChIKeyMJRPOZAOAJIARO-UHFFFAOYSA-N
MW283.38 g/mol
LogP3.09
Rot. Bonds4

About 4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide

4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide (PubChem CID 133469009) has the molecular formula C17H21N3O and a molecular weight of 283.38 g/mol. Its IUPAC name is 4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide
PubChem CID133469009
Molecular FormulaC17H21N3O
Molecular Weight283.38 g/mol
Exact Mass283.17
IUPAC Name4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(CNc2ccncc2C(N)=O)cc1
InChIInChI=1S/C17H21N3O/c1-17(2,3)13-6-4-12(5-7-13)10-20-15-8-9-19-11-14(15)16(18)21/h4-9,11H,10H2,1-3H3,(H2,18,21)(H,19,20)
InChIKeyMJRPOZAOAJIARO-UHFFFAOYSA-N
XLogP3.09
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.38
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-[[2-(4-methoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide
CID 133469099
4-[2-(2,2-dimethylpropanoylamino)ethylamino]pyridine-3-carboxamide
CID 133455073
4-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]pyridine-3-carboxamide
CID 133442800
4-[[4-(2-oxopiperidin-1-yl)phenyl]methylamino]pyridine-3-carboxamide
CID 133468482
4-[[4-fluoro-3-(methoxymethyl)phenyl]methylamino]pyridine-3-carboxamide
CID 133470671
4-[(4-fluorophenyl)methylamino]pyridine-3-carboxylic acid
CID 81233465
4-[[2-(3,4-dimethoxyphenyl)-2-methylpropyl]amino]pyridine-3-carboxamide
CID 133470525
4-[(6-methyl-2-pyridinyl)methylamino]pyridine-3-carboxamide
CID 133442516
4-[(3-phenoxyphenyl)methylamino]pyridine-3-carboxamide
CID 133442189
4-[[3-(2-methylpropoxy)phenyl]methylamino]pyridine-3-carboxamide
CID 133468564
4-[(2-hydroxy-2-thiophen-3-ylpropyl)amino]pyridine-3-carboxamide
CID 133454925
4-[[3-(3-methylbutanoylamino)phenyl]methylamino]pyridine-3-carboxamide
CID 133468780

Frequently Asked Questions

What is the IUPAC name of 4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide?
The IUPAC name of 4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide (CID 133469009) is 4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide.
What is the SMILES notation for 4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide?
The canonical SMILES for 4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide is CC(C)(C)c1ccc(CNc2ccncc2C(N)=O)cc1.
What is the InChIKey of 4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide?
The InChIKey is MJRPOZAOAJIARO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O/c1-17(2,3)13-6-4-12(5-7-13)10-20-15-8-9-19-11-14(15)16(18)21/h4-9,11H,10H2,1-3H3,(H2,18,21)(H,19,20).
What are the key properties of 4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide?
4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide has a molecular weight of 283.38 g/mol, XLogP of 3.09, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-tert-butylphenyl)methylamino]pyridine-3-carboxamide is sourced from PubChem (CID 133469009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).