N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide

C23H25N3O — CID 109169454

IUPACN-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide
SMILESCC(C)(C)c1ccc(Nc2cc(C(=O)NCc3ccccc3)ccn2)cc1
InChIInChI=1S/C23H25N3O/c1-23(2,3)19-9-11-20(12-10-19)26-21-15-18(13-14-24-21)22(27)25-16-17-7-5-4-6-8-17/h4-15H,16H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyVNSMEIRZIYXYKP-UHFFFAOYSA-N
MW359.47 g/mol
LogP5.05
Rot. Bonds5

About N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide

N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide (PubChem CID 109169454) has the molecular formula C23H25N3O and a molecular weight of 359.47 g/mol. Its IUPAC name is N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide
PubChem CID109169454
Molecular FormulaC23H25N3O
Molecular Weight359.47 g/mol
Exact Mass359.20
IUPAC NameN-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide
SMILESCC(C)(C)c1ccc(Nc2cc(C(=O)NCc3ccccc3)ccn2)cc1
InChIInChI=1S/C23H25N3O/c1-23(2,3)19-9-11-20(12-10-19)26-21-15-18(13-14-24-21)22(27)25-16-17-7-5-4-6-8-17/h4-15H,16H2,1-3H3,(H,24,26)(H,25,27)
InChIKeyVNSMEIRZIYXYKP-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

Analyze N-benzyl-2-(4-tert-butylanilino)pyridine-4-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

N-benzyl-6-(4-tert-butylanilino)pyridine-3-carboxamide
CID 109155602
N-benzyl-2-(3-phenylpropylamino)pyridine-4-carboxamide
CID 109169444
N-benzyl-2-(4-tert-butylanilino)pyrimidine-4-carboxamide
CID 109303825
2-anilino-N-[(3,4-dimethoxyphenyl)methyl]pyridine-4-carboxamide
CID 109173887
N-benzyl-6-(4-tert-butylanilino)-2-methylpyrimidine-4-carboxamide
CID 109368433
2-[4-(dimethylamino)anilino]-N-[(3-methylphenyl)methyl]pyridine-4-carboxamide
CID 109169807
2-amino-N-benzylpyridine-4-carboxamide
CID 18752897
N-benzyl-2-(4-chloro-2-methylanilino)pyridine-4-carboxamide
CID 109169457
N-benzyl-2-(2-bromo-4-methylanilino)pyridine-4-carboxamide
CID 109169486
N-[(4-chlorophenyl)methyl]-2-[4-(dimethylamino)anilino]pyridine-4-carboxamide
CID 109170914
3-N-benzyl-5-N-(4-tert-butylphenyl)pyridine-3,5-dicarboxamide
CID 109105034
N-benzyl-2-(2,3-dichloroanilino)pyridine-4-carboxamide
CID 109169498

Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide?
The IUPAC name of N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide (CID 109169454) is N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide?
The canonical SMILES for N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide is CC(C)(C)c1ccc(Nc2cc(C(=O)NCc3ccccc3)ccn2)cc1.
What is the InChIKey of N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide?
The InChIKey is VNSMEIRZIYXYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O/c1-23(2,3)19-9-11-20(12-10-19)26-21-15-18(13-14-24-21)22(27)25-16-17-7-5-4-6-8-17/h4-15H,16H2,1-3H3,(H,24,26)(H,25,27).
What are the key properties of N-benzyl-2-(4-tert-butylanilino)pyridine-4-carboxamide?
N-benzyl-2-(4-tert-butylanilino)pyridine-4-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-2-(4-tert-butylanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109169454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).