N-(4-tert-butylphenyl)-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide

C23H29N3O2 — CID 109099717

IUPACN-(4-tert-butylphenyl)-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
SMILESCC1CCCN(C(=O)c2cccc(C(=O)Nc3ccc(C(C)(C)C)cc3)n2)C1
InChIInChI=1S/C23H29N3O2/c1-16-7-6-14-26(15-16)22(28)20-9-5-8-19(25-20)21(27)24-18-12-10-17(11-13-18)23(2,3)4/h5,8-13,16H,6-7,14-15H2,1-4H3,(H,24,27)
InChIKeyVWBBJEAYURAQAS-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.50
Rot. Bonds3

About N-(4-tert-butylphenyl)-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide

N-(4-tert-butylphenyl)-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide (PubChem CID 109099717) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
PubChem CID109099717
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-(4-tert-butylphenyl)-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
SMILESCC1CCCN(C(=O)c2cccc(C(=O)Nc3ccc(C(C)(C)C)cc3)n2)C1
InChIInChI=1S/C23H29N3O2/c1-16-7-6-14-26(15-16)22(28)20-9-5-8-19(25-20)21(27)24-18-12-10-17(11-13-18)23(2,3)4/h5,8-13,16H,6-7,14-15H2,1-4H3,(H,24,27)
InChIKeyVWBBJEAYURAQAS-UHFFFAOYSA-N
XLogP4.50
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

methyl 4-[[6-(3-methylpiperidine-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109099751
[6-(3-methylpiperidine-1-carbonyl)-2-pyridinyl]-piperidin-1-ylmethanone
CID 109095169
N-(2,3-dichlorophenyl)-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109099767
N-(4-tert-butylphenyl)-2-(3-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109312677
N-(4-acetamidophenyl)-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109095228
6-(3-methylpiperidine-1-carbonyl)-N-(2-methyl-6-propan-2-ylphenyl)pyridine-2-carboxamide
CID 109099715
N-[2-(dimethylamino)ethyl]-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide
CID 109096331
4-(3-methylpiperidine-1-carbonyl)-N-[4-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109090330
N-(4-chlorophenyl)-4-(3-methylpiperidine-1-carbonyl)benzamide
CID 109048985
6-(3-methylpiperidine-1-carbonyl)-N-(3-phenylpropyl)pyridine-2-carboxamide
CID 109099081
methyl 4-[[6-(azepane-1-carbonyl)pyridine-2-carbonyl]amino]benzoate
CID 109099926
6-(4-methylpiperidine-1-carbonyl)-N-[3-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 109095520

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide (CID 109099717) is N-(4-tert-butylphenyl)-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide is CC1CCCN(C(=O)c2cccc(C(=O)Nc3ccc(C(C)(C)C)cc3)n2)C1.
What is the InChIKey of N-(4-tert-butylphenyl)-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
The InChIKey is VWBBJEAYURAQAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-16-7-6-14-26(15-16)22(28)20-9-5-8-19(25-20)21(27)24-18-12-10-17(11-13-18)23(2,3)4/h5,8-13,16H,6-7,14-15H2,1-4H3,(H,24,27).
What are the key properties of N-(4-tert-butylphenyl)-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide?
N-(4-tert-butylphenyl)-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide has a molecular weight of 379.50 g/mol, XLogP of 4.50, 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)-6-(3-methylpiperidine-1-carbonyl)pyridine-2-carboxamide is sourced from PubChem (CID 109099717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).