N-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide

C21H27N3O — CID 109182819

IUPACN-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(N3CCCCC3)cn2)cc1
InChIInChI=1S/C21H27N3O/c1-21(2,3)16-7-9-17(10-8-16)23-20(25)19-12-11-18(15-22-19)24-13-5-4-6-14-24/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,25)
InChIKeyRLRASRZFPYCACE-UHFFFAOYSA-N
MW337.47 g/mol
LogP4.62
Rot. Bonds3

About N-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide

N-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide (PubChem CID 109182819) has the molecular formula C21H27N3O and a molecular weight of 337.47 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
PubChem CID109182819
Molecular FormulaC21H27N3O
Molecular Weight337.47 g/mol
Exact Mass337.22
IUPAC NameN-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
SMILESCC(C)(C)c1ccc(NC(=O)c2ccc(N3CCCCC3)cn2)cc1
InChIInChI=1S/C21H27N3O/c1-21(2,3)16-7-9-17(10-8-16)23-20(25)19-12-11-18(15-22-19)24-13-5-4-6-14-24/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,25)
InChIKeyRLRASRZFPYCACE-UHFFFAOYSA-N
XLogP4.62
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.47
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182799
5-(azepan-1-yl)-N-(4-bromophenyl)pyridine-2-carboxamide
CID 109196891
5-(azepan-1-yl)-N-(4-methoxyphenyl)pyridine-2-carboxamide
CID 109196895
4-tert-butyl-N-(4-piperidin-1-ylphenyl)benzamide
CID 682745
5-(azepan-1-yl)-N-(4-ethoxyphenyl)pyridine-2-carboxamide
CID 109196897
5-(azepan-1-yl)-N-(4-cyanophenyl)pyridine-2-carboxamide
CID 109196949
N-(3-bromo-4-methylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide
CID 109182834
N-[4-(azepan-1-yl)phenyl]-5-methylpyrazine-2-carboxamide
CID 51197527
2-(azepan-1-yl)-N-(4-tert-butylphenyl)pyrimidine-5-carboxamide
CID 109264979
5-[(4-tert-butylphenyl)carbamoyl]pyrazine-2-carboxylic acid
CID 120684723
5-(4-fluoroanilino)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109199047
5-tert-butyl-N-(4-piperidin-1-ylphenyl)-1H-pyrazole-3-carboxamide
CID 78887587

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide (CID 109182819) is N-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide is CC(C)(C)c1ccc(NC(=O)c2ccc(N3CCCCC3)cn2)cc1.
What is the InChIKey of N-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide?
The InChIKey is RLRASRZFPYCACE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O/c1-21(2,3)16-7-9-17(10-8-16)23-20(25)19-12-11-18(15-22-19)24-13-5-4-6-14-24/h7-12,15H,4-6,13-14H2,1-3H3,(H,23,25).
What are the key properties of N-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide?
N-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide has a molecular weight of 337.47 g/mol, XLogP of 4.62, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-5-piperidin-1-ylpyridine-2-carboxamide is sourced from PubChem (CID 109182819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).