N-(2-tert-butylphenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide

C23H25N3O2 — CID 109177158

IUPACN-(2-tert-butylphenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)Nc3ccccc3C(C)(C)C)ccn2)c1
InChIInChI=1S/C23H25N3O2/c1-23(2,3)19-10-5-6-11-20(19)26-22(27)16-12-13-24-21(14-16)25-17-8-7-9-18(15-17)28-4/h5-15H,1-4H3,(H,24,25)(H,26,27)
InChIKeyDSIVZXUDWADQTE-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.38
Rot. Bonds5

About N-(2-tert-butylphenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide

N-(2-tert-butylphenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide (PubChem CID 109177158) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
PubChem CID109177158
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-(2-tert-butylphenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
SMILESCOc1cccc(Nc2cc(C(=O)Nc3ccccc3C(C)(C)C)ccn2)c1
InChIInChI=1S/C23H25N3O2/c1-23(2,3)19-10-5-6-11-20(19)26-22(27)16-12-13-24-21(14-16)25-17-8-7-9-18(15-17)28-4/h5-15H,1-4H3,(H,24,25)(H,26,27)
InChIKeyDSIVZXUDWADQTE-UHFFFAOYSA-N
XLogP5.38
TPSA63.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500375.47
LogP ≤ 55.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-tert-butylphenyl)-6-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109357754
N-(2-tert-butylphenyl)-2-(3-cyanoanilino)pyridine-4-carboxamide
CID 109177164
N-(3-bromophenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109178014
2-(3-bromoanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177974
N-(2,6-difluorophenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109178031
2-(3-chloroanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177464
2-(3-acetamidoanilino)-N-(2-methoxyphenyl)pyridine-4-carboxamide
CID 109177884
2-(3-methoxyanilino)-N-(2-methoxyethyl)pyridine-4-carboxamide
CID 109166806
methyl 2-(3-methoxyanilino)pyridine-4-carboxylate
CID 68663874
2-(2,3-dichloroanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177985
2-(4-methoxyanilino)-N-quinolin-8-ylpyridine-4-carboxamide
CID 109178089
2-(4-ethoxyanilino)-N-(3-methoxyphenyl)pyridine-4-carboxamide
CID 109177953

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide (CID 109177158) is N-(2-tert-butylphenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide is COc1cccc(Nc2cc(C(=O)Nc3ccccc3C(C)(C)C)ccn2)c1.
What is the InChIKey of N-(2-tert-butylphenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide?
The InChIKey is DSIVZXUDWADQTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-23(2,3)19-10-5-6-11-20(19)26-22(27)16-12-13-24-21(14-16)25-17-8-7-9-18(15-17)28-4/h5-15H,1-4H3,(H,24,25)(H,26,27).
What are the key properties of N-(2-tert-butylphenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide?
N-(2-tert-butylphenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide has a molecular weight of 375.47 g/mol, XLogP of 5.38, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide is sourced from PubChem (CID 109177158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).