N-(2-tert-butylphenyl)-6-(4-methoxyanilino)pyridine-3-carboxamide

C23H25N3O2 — CID 109163142

IUPACN-(2-tert-butylphenyl)-6-(4-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3ccccc3C(C)(C)C)cn2)cc1
InChIInChI=1S/C23H25N3O2/c1-23(2,3)19-7-5-6-8-20(19)26-22(27)16-9-14-21(24-15-16)25-17-10-12-18(28-4)13-11-17/h5-15H,1-4H3,(H,24,25)(H,26,27)
InChIKeyMPMOSXTZSRTCDW-UHFFFAOYSA-N
MW375.47 g/mol
LogP5.38
Rot. Bonds5

About N-(2-tert-butylphenyl)-6-(4-methoxyanilino)pyridine-3-carboxamide

N-(2-tert-butylphenyl)-6-(4-methoxyanilino)pyridine-3-carboxamide (PubChem CID 109163142) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-6-(4-methoxyanilino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-6-(4-methoxyanilino)pyridine-3-carboxamide
PubChem CID109163142
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC NameN-(2-tert-butylphenyl)-6-(4-methoxyanilino)pyridine-3-carboxamide
SMILESCOc1ccc(Nc2ccc(C(=O)Nc3ccccc3C(C)(C)C)cn2)cc1
InChIInChI=1S/C23H25N3O2/c1-23(2,3)19-7-5-6-8-20(19)26-22(27)16-9-14-21(24-15-16)25-17-10-12-18(28-4)13-11-17/h5-15H,1-4H3,(H,24,25)(H,26,27)
InChIKeyMPMOSXTZSRTCDW-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)-2-(4-methoxyanilino)pyrimidine-5-carboxamide
CID 109268208
6-(1,3-benzodioxol-5-ylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 109163145
N-(2-tert-butylphenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridine-3-carboxamide
CID 109163149
N-(2-tert-butylphenyl)-6-(4-methoxyanilino)-2-methylpyrimidine-4-carboxamide
CID 112849731
6-anilino-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109162076
N-(2,6-dichlorophenyl)-6-(4-methoxyanilino)pyridine-3-carboxamide
CID 109164043
N-(2-tert-butylphenyl)-4-(4-methoxyanilino)pyridine-2-carboxamide
CID 109220552
6-(2-tert-butylanilino)-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3-carboxamide
CID 109163139
6-bromo-N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 66463109
N-(2-tert-butylphenyl)-2-(3-methoxyanilino)pyridine-4-carboxamide
CID 109177158
methyl N-[6-(2-tert-butylanilino)-3-pyridinyl]carbamate
CID 113018094
6-(4-propan-2-yloxyanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109164287

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-6-(4-methoxyanilino)pyridine-3-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-6-(4-methoxyanilino)pyridine-3-carboxamide (CID 109163142) is N-(2-tert-butylphenyl)-6-(4-methoxyanilino)pyridine-3-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-6-(4-methoxyanilino)pyridine-3-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-6-(4-methoxyanilino)pyridine-3-carboxamide is COc1ccc(Nc2ccc(C(=O)Nc3ccccc3C(C)(C)C)cn2)cc1.
What is the InChIKey of N-(2-tert-butylphenyl)-6-(4-methoxyanilino)pyridine-3-carboxamide?
The InChIKey is MPMOSXTZSRTCDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/c1-23(2,3)19-7-5-6-8-20(19)26-22(27)16-9-14-21(24-15-16)25-17-10-12-18(28-4)13-11-17/h5-15H,1-4H3,(H,24,25)(H,26,27).
What are the key properties of N-(2-tert-butylphenyl)-6-(4-methoxyanilino)pyridine-3-carboxamide?
N-(2-tert-butylphenyl)-6-(4-methoxyanilino)pyridine-3-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)-6-(4-methoxyanilino)pyridine-3-carboxamide is sourced from PubChem (CID 109163142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).