N-(2-tert-butylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide

C22H29N3O — CID 109218225

IUPACN-(2-tert-butylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
SMILESCC1CCCN(c2ccnc(C(=O)Nc3ccccc3C(C)(C)C)c2)C1
InChIInChI=1S/C22H29N3O/c1-16-8-7-13-25(15-16)17-11-12-23-20(14-17)21(26)24-19-10-6-5-9-18(19)22(2,3)4/h5-6,9-12,14,16H,7-8,13,15H2,1-4H3,(H,24,26)
InChIKeyWRRMVFVCOLSOMJ-UHFFFAOYSA-N
MW351.49 g/mol
LogP4.87
Rot. Bonds3

About N-(2-tert-butylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide

N-(2-tert-butylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide (PubChem CID 109218225) has the molecular formula C22H29N3O and a molecular weight of 351.49 g/mol. Its IUPAC name is N-(2-tert-butylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(2-tert-butylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
PubChem CID109218225
Molecular FormulaC22H29N3O
Molecular Weight351.49 g/mol
Exact Mass351.23
IUPAC NameN-(2-tert-butylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
SMILESCC1CCCN(c2ccnc(C(=O)Nc3ccccc3C(C)(C)C)c2)C1
InChIInChI=1S/C22H29N3O/c1-16-8-7-13-25(15-16)17-11-12-23-20(14-17)21(26)24-19-10-6-5-9-18(19)22(2,3)4/h5-6,9-12,14,16H,7-8,13,15H2,1-4H3,(H,24,26)
InChIKeyWRRMVFVCOLSOMJ-UHFFFAOYSA-N
XLogP4.87
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.49
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-2-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218277
4-(3-methylpiperidin-1-yl)-N-(4-pyrrolidin-1-ylphenyl)pyridine-2-carboxamide
CID 109218267
2-(3-methylpiperidin-1-yl)-N-[2-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109312704
4-(3-methylpiperidin-1-yl)-N-(1-phenylethyl)pyridine-2-carboxamide
CID 109210674
N-(2-tert-butylphenyl)-4-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-2-carboxamide
CID 109215699
4-(3-methylpiperidin-1-yl)-N-(4-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109218222
N-(3-chloro-4-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218235
N-[(4-chlorophenyl)methyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109211807
N-butan-2-yl-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109203312
N-(3-cyanophenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218300
N-(4-bromo-3-methylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109218278
N-[2-(4-chlorophenyl)ethyl]-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide
CID 109215433

Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
The IUPAC name of N-(2-tert-butylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide (CID 109218225) is N-(2-tert-butylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide.
What is the SMILES notation for N-(2-tert-butylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
The canonical SMILES for N-(2-tert-butylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide is CC1CCCN(c2ccnc(C(=O)Nc3ccccc3C(C)(C)C)c2)C1.
What is the InChIKey of N-(2-tert-butylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
The InChIKey is WRRMVFVCOLSOMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O/c1-16-8-7-13-25(15-16)17-11-12-23-20(14-17)21(26)24-19-10-6-5-9-18(19)22(2,3)4/h5-6,9-12,14,16H,7-8,13,15H2,1-4H3,(H,24,26).
What are the key properties of N-(2-tert-butylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide?
N-(2-tert-butylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide has a molecular weight of 351.49 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butylphenyl)-4-(3-methylpiperidin-1-yl)pyridine-2-carboxamide is sourced from PubChem (CID 109218225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).