N-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide

C23H25N3O2 — CID 109198795

IUPACN-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)nc2)cc1
InChIInChI=1S/C23H25N3O2/c1-23(2,3)16-5-7-18(8-6-16)26-22(27)21-14-11-19(15-24-21)25-17-9-12-20(28-4)13-10-17/h5-15,25H,1-4H3,(H,26,27)
InChIKeyZMQKMESBSBLVSC-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.38
Rot. Bonds5

About N-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide

N-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide (PubChem CID 109198795) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
PubChem CID109198795
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)nc2)cc1
InChIInChI=1S/C23H25N3O2/c1-23(2,3)16-5-7-18(8-6-16)26-22(27)21-14-11-19(15-24-21)25-17-9-12-20(28-4)13-10-17/h5-15,25H,1-4H3,(H,26,27)
InChIKeyZMQKMESBSBLVSC-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-tert-butyl-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109195102
N-(4-methoxyphenyl)-5-(4-propan-2-ylanilino)pyridine-2-carboxamide
CID 109198703
N-(3,5-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198157
N-(4-methoxyphenyl)-5-(4-pyrrolidin-1-ylanilino)pyridine-2-carboxamide
CID 109199887
5-hydrazinyl-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 113436268
5-(3-chloro-4-methoxyanilino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199601
N-(2,6-dimethylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109198223
5-(tert-butylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109195203
5-(4-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-2-carboxamide
CID 109198812
5-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109199892
5-(4-methoxyanilino)-N-[2-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109199921
N-(1,3-benzodioxol-5-yl)-5-(4-methoxyanilino)pyridine-2-carboxamide
CID 109199937

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide (CID 109198795) is N-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide is COc1ccc(Nc2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)nc2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide?
The InChIKey is ZMQKMESBSBLVSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-23(2,3)16-5-7-18(8-6-16)26-22(27)21-14-11-19(15-24-21)25-17-9-12-20(28-4)13-10-17/h5-15,25H,1-4H3,(H,26,27).
What are the key properties of N-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide?
N-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-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-(4-tert-butylphenyl)-5-(4-methoxyanilino)pyridine-2-carboxamide is sourced from PubChem (CID 109198795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).