N-(3-tert-butyl-4-methylphenyl)-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide

C20H26N2O2 — CID 170149403

IUPACN-(3-tert-butyl-4-methylphenyl)-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(C)(C)O)ccn2)cc1C(C)(C)C
InChIInChI=1S/C20H26N2O2/c1-13-7-8-15(12-16(13)19(2,3)4)22-18(23)17-11-14(9-10-21-17)20(5,6)24/h7-12,24H,1-6H3,(H,22,23)
InChIKeyBUAUVXGOFRUVLL-UHFFFAOYSA-N
MW326.44 g/mol
LogP4.17
Rot. Bonds3

About N-(3-tert-butyl-4-methylphenyl)-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide

N-(3-tert-butyl-4-methylphenyl)-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide (PubChem CID 170149403) has the molecular formula C20H26N2O2 and a molecular weight of 326.44 g/mol. Its IUPAC name is N-(3-tert-butyl-4-methylphenyl)-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(3-tert-butyl-4-methylphenyl)-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide
PubChem CID170149403
Molecular FormulaC20H26N2O2
Molecular Weight326.44 g/mol
Exact Mass326.20
IUPAC NameN-(3-tert-butyl-4-methylphenyl)-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide
SMILESCc1ccc(NC(=O)c2cc(C(C)(C)O)ccn2)cc1C(C)(C)C
InChIInChI=1S/C20H26N2O2/c1-13-7-8-15(12-16(13)19(2,3)4)22-18(23)17-11-14(9-10-21-17)20(5,6)24/h7-12,24H,1-6H3,(H,22,23)
InChIKeyBUAUVXGOFRUVLL-UHFFFAOYSA-N
XLogP4.17
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(3-tert-butyl-4-fluorophenyl)-4-methylpyridine-2-carboxamide
CID 170148732
N-(3,4-dimethylphenyl)-4-methylpyridine-2-carboxamide
CID 110857354
N-(3,4-dimethylphenyl)-4-(propylamino)pyridine-2-carboxamide
CID 62173356
N-[4-methyl-3-(2-trimethylsilylethynyl)phenyl]-4-(trifluoromethyl)pyridine-2-carboxamide
CID 164572625
4-chloro-N-(3-hydroxy-4-methylphenyl)pyridine-2-carboxamide
CID 113290191
4-(tert-butylamino)-N-(4-methylphenyl)pyridine-2-carboxamide
CID 109216961
N-(3-tert-butyl-4-methylphenyl)-5-chloropyridine-3-carboxamide
CID 170149232
N-(4-tert-butylphenyl)-4-(3-methylbutylamino)pyridine-2-carboxamide
CID 109217414
4-(benzylamino)-N-(3,4-dimethylphenyl)pyridine-2-carboxamide
CID 109209829
N-(3-acetylphenyl)-4-(4-tert-butylanilino)pyridine-2-carboxamide
CID 109220583
4-(propylamino)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109201247
N-(3,4-dimethylphenyl)-4-(2-methylanilino)pyridine-2-carboxamide
CID 109219004

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-4-methylphenyl)-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide?
The IUPAC name of N-(3-tert-butyl-4-methylphenyl)-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide (CID 170149403) is N-(3-tert-butyl-4-methylphenyl)-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(3-tert-butyl-4-methylphenyl)-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(3-tert-butyl-4-methylphenyl)-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide is Cc1ccc(NC(=O)c2cc(C(C)(C)O)ccn2)cc1C(C)(C)C.
What is the InChIKey of N-(3-tert-butyl-4-methylphenyl)-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide?
The InChIKey is BUAUVXGOFRUVLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2/c1-13-7-8-15(12-16(13)19(2,3)4)22-18(23)17-11-14(9-10-21-17)20(5,6)24/h7-12,24H,1-6H3,(H,22,23).
What are the key properties of N-(3-tert-butyl-4-methylphenyl)-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide?
N-(3-tert-butyl-4-methylphenyl)-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide has a molecular weight of 326.44 g/mol, XLogP of 4.17, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-4-methylphenyl)-4-(2-hydroxypropan-2-yl)pyridine-2-carboxamide is sourced from PubChem (CID 170149403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).