N-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide

C23H25N3O — CID 109155602

IUPACN-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(Nc2ccc(C(=O)NCc3ccccc3)cn2)cc1
InChIInChI=1S/C23H25N3O/c1-23(2,3)19-10-12-20(13-11-19)26-21-14-9-18(16-24-21)22(27)25-15-17-7-5-4-6-8-17/h4-14,16H,15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyPSEQJSITEGJQPI-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.05
Rot. Bonds5

About N-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide

N-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide (PubChem CID 109155602) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide
PubChem CID109155602
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide
SMILESCC(C)(C)c1ccc(Nc2ccc(C(=O)NCc3ccccc3)cn2)cc1
InChIInChI=1S/C23H25N3O/c1-23(2,3)19-10-12-20(13-11-19)26-21-14-9-18(16-24-21)22(27)25-15-17-7-5-4-6-8-17/h4-14,16H,15H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyPSEQJSITEGJQPI-UHFFFAOYSA-N
XLogP5.05
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.47
LogP ≤ 55.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide
CID 109169454
N-[(4-methylphenyl)methyl]-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109156075
N-(pyridin-3-ylmethyl)-6-[4-(trifluoromethyl)anilino]pyridine-3-carboxamide
CID 109157983
N-benzyl-6-(2-methoxyethylamino)pyridine-3-carboxamide
CID 109152863
N-benzyl-6-(3-methylbutylamino)pyridine-3-carboxamide
CID 109155596
6-(4-chloroanilino)-N-[(4-methylphenyl)methyl]pyridine-3-carboxamide
CID 109156061
6-(4-methylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 1441265
6-(4-acetamidoanilino)-N-(pyridin-3-ylmethyl)pyridine-3-carboxamide
CID 109157985
6-(4-ethylanilino)-N-(2-phenylethyl)pyridine-3-carboxamide
CID 109158309
3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide
CID 109105034
6-(4-methylanilino)-N-(3-phenylpropyl)pyridine-3-carboxamide
CID 109160841
N-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide
CID 109368433

Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide?
The IUPAC name of N-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide (CID 109155602) is N-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide?
The canonical SMILES for N-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide is CC(C)(C)c1ccc(Nc2ccc(C(=O)NCc3ccccc3)cn2)cc1.
What is the InChIKey of N-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide?
The InChIKey is PSEQJSITEGJQPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-23(2,3)19-10-12-20(13-11-19)26-21-14-9-18(16-24-21)22(27)25-15-17-7-5-4-6-8-17/h4-14,16H,15H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide?
N-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide has a molecular weight of 359.47 g/mol, XLogP of 5.05, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109155602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).