5-(tert-butylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide

C20H27N3O — CID 109239410

IUPAC5-(tert-butylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide
SMILESCC(C)(C)Nc1cncc(C(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C20H27N3O/c1-19(2,3)16-9-7-8-10-17(16)22-18(24)14-11-15(13-21-12-14)23-20(4,5)6/h7-13,23H,1-6H3,(H,22,24)
InChIKeyXKFLLCJECICOIL-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.84
Rot. Bonds3

About 5-(tert-butylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide

5-(tert-butylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide (PubChem CID 109239410) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-(tert-butylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name5-(tert-butylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide
PubChem CID109239410
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name5-(tert-butylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide
SMILESCC(C)(C)Nc1cncc(C(=O)Nc2ccccc2C(C)(C)C)c1
InChIInChI=1S/C20H27N3O/c1-19(2,3)16-9-7-8-10-17(16)22-18(24)14-11-15(13-21-12-14)23-20(4,5)6/h7-13,23H,1-6H3,(H,22,24)
InChIKeyXKFLLCJECICOIL-UHFFFAOYSA-N
XLogP4.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.46
LogP ≤ 54.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-(tert-butylamino)-N-phenylpyridine-3-carboxamide
CID 109239388
5-(tert-butylamino)-N-(2,3-dimethylphenyl)pyridine-3-carboxamide
CID 109239400
N-(2-tert-butylphenyl)-5-(2-ethoxyanilino)pyridine-3-carboxamide
CID 109244010
5-(tert-butylamino)-N-(2,4-dimethylphenyl)pyridine-3-carboxamide
CID 109239395
N-(2-tert-butylphenyl)-5-[(2-fluorophenyl)methylamino]pyridine-3-carboxamide
CID 109233471
5-(propylamino)-N-[2-(trifluoromethyl)phenyl]pyridine-3-carboxamide
CID 109223099
N-(4-bromo-2-methylphenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239464
N-(2-tert-butylphenyl)pyridine-3-carboxamide
CID 1244993
5-(tert-butylamino)-N-(2,5-dimethylphenyl)pyridine-3-carboxamide
CID 109239396
5-N-(2-tert-butylphenyl)-3-N-(2-methoxyethyl)pyridine-3,5-dicarboxamide
CID 109103485
5-(2-tert-butylanilino)-N-quinolin-8-ylpyridine-3-carboxamide
CID 109244039
N-(3-bromophenyl)-5-(tert-butylamino)pyridine-3-carboxamide
CID 109239462

Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide?
The IUPAC name of 5-(tert-butylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide (CID 109239410) is 5-(tert-butylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 5-(tert-butylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 5-(tert-butylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide is CC(C)(C)Nc1cncc(C(=O)Nc2ccccc2C(C)(C)C)c1.
What is the InChIKey of 5-(tert-butylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide?
The InChIKey is XKFLLCJECICOIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-19(2,3)16-9-7-8-10-17(16)22-18(24)14-11-15(13-21-12-14)23-20(4,5)6/h7-13,23H,1-6H3,(H,22,24).
What are the key properties of 5-(tert-butylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide?
5-(tert-butylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.84, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(tert-butylamino)-N-(2-tert-butylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 109239410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).