5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide

C20H27N3O — CID 109181691

IUPAC5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C20H27N3O/c1-6-14(2)22-17-11-12-18(21-13-17)19(24)23-16-9-7-15(8-10-16)20(3,4)5/h7-14,22H,6H2,1-5H3,(H,23,24)
InChIKeyLZEDKSQMTNDLEQ-UHFFFAOYSA-N
MW325.46 g/mol
LogP4.84
Rot. Bonds5

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

5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide (PubChem CID 109181691) has the molecular formula C20H27N3O and a molecular weight of 325.46 g/mol. Its IUPAC name is 5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide
PubChem CID109181691
Molecular FormulaC20H27N3O
Molecular Weight325.46 g/mol
Exact Mass325.22
IUPAC Name5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide
SMILESCCC(C)Nc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)nc1
InChIInChI=1S/C20H27N3O/c1-6-14(2)22-17-11-12-18(21-13-17)19(24)23-16-9-7-15(8-10-16)20(3,4)5/h7-14,22H,6H2,1-5H3,(H,23,24)
InChIKeyLZEDKSQMTNDLEQ-UHFFFAOYSA-N
XLogP4.84
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
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-(4-tert-butylphenyl)pyridine-2-carboxamide
CID 109195203
5-(butan-2-ylamino)-N-(3,4-dichlorophenyl)pyridine-2-carboxamide
CID 109181756
5-(butan-2-ylamino)-N-(3,5-dichlorophenyl)pyridine-2-carboxamide
CID 109181759
N-(4-tert-butylphenyl)-5-(pentylamino)pyridine-2-carboxamide
CID 109195848
6-(butan-2-ylamino)-N-(4-tert-butylphenyl)-2-methylpyrimidine-4-carboxamide
CID 109362417
5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684723
5-(3-methylbutylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109195665
N-(4-tert-butylphenyl)-5-[2-(dimethylamino)ethylamino]pyridine-2-carboxamide
CID 109185555
5-(butan-2-ylamino)-N-cyclopropylpyridine-2-carboxamide
CID 109179836
5-(butan-2-ylamino)-N-(2,5-dimethylphenyl)pyridine-2-carboxamide
CID 109181676
methyl 3-[[5-(butan-2-ylamino)pyridine-2-carbonyl]amino]benzoate
CID 109181726
N-(4-tert-butylphenyl)-5-(cyclopentylamino)pyridine-2-carboxamide
CID 109182449

Frequently Asked Questions

What is the IUPAC name of 5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide?
The IUPAC name of 5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide (CID 109181691) is 5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide?
The canonical SMILES for 5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide is CCC(C)Nc1ccc(C(=O)Nc2ccc(C(C)(C)C)cc2)nc1.
What is the InChIKey of 5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide?
The InChIKey is LZEDKSQMTNDLEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O/c1-6-14(2)22-17-11-12-18(21-13-17)19(24)23-16-9-7-15(8-10-16)20(3,4)5/h7-14,22H,6H2,1-5H3,(H,23,24).
What are the key properties of 5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide?
5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide has a molecular weight of 325.46 g/mol, XLogP of 4.84, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(butan-2-ylamino)-N-(4-tert-butylphenyl)pyridine-2-carboxamide is sourced from PubChem (CID 109181691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).