N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide

C22H30N4O — CID 109154737

IUPACN-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cn2)CC1
InChIInChI=1S/C22H30N4O/c1-5-25-12-14-26(15-13-25)20-11-6-17(16-23-20)21(27)24-19-9-7-18(8-10-19)22(2,3)4/h6-11,16H,5,12-15H2,1-4H3,(H,24,27)
InChIKeyDYGMLESPGAKIEG-UHFFFAOYSA-N
MW366.51 g/mol
LogP3.77
Rot. Bonds4

About N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide

N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide (PubChem CID 109154737) has the molecular formula C22H30N4O and a molecular weight of 366.51 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
PubChem CID109154737
Molecular FormulaC22H30N4O
Molecular Weight366.51 g/mol
Exact Mass366.24
IUPAC NameN-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
SMILESCCN1CCN(c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cn2)CC1
InChIInChI=1S/C22H30N4O/c1-5-25-12-14-26(15-13-25)20-11-6-17(16-23-20)21(27)24-19-9-7-18(8-10-19)22(2,3)4/h6-11,16H,5,12-15H2,1-4H3,(H,24,27)
InChIKeyDYGMLESPGAKIEG-UHFFFAOYSA-N
XLogP3.77
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.51
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154746
N-(3-acetylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154758
6-(4-ethylpiperazin-1-yl)pyridine-3-carboxylic acid;hydrochloride
CID 154881659
methyl 4-[4-[5-[(4-tert-butylphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carbonyl]cyclohexane-1-carboxylate
CID 59318026
4-tert-butyl-N-[6-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-pyridinyl]benzamide
CID 42850230
1-(5-tert-butyl-2-pyridinyl)-4-ethylpiperazine
CID 59019183
4-tert-butyl-N-[2-(4-ethylpiperazin-1-yl)-4-methylquinolin-6-yl]benzamide
CID 44522357
6-[4-[(2R)-2-hydroxypropyl]piperazin-1-yl]-N-(4-methylphenyl)pyridine-3-carboxamide
CID 133486045
N-(2-ethoxyphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154747
4-tert-butyl-N-[6-[4-[(2-chlorophenyl)methyl]-1,4-diazepan-1-yl]-3-pyridinyl]benzamide
CID 46053761
4-tert-butyl-N-[6-[4-(2-hydroxy-3-methoxypropyl)-1,4-diazepan-1-yl]-3-pyridinyl]benzamide
CID 42857854
6-(4-benzylpiperazin-1-yl)-N-phenylpyridine-3-carboxamide
CID 109159539

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide (CID 109154737) is N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide is CCN1CCN(c2ccc(C(=O)Nc3ccc(C(C)(C)C)cc3)cn2)CC1.
What is the InChIKey of N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
The InChIKey is DYGMLESPGAKIEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H30N4O/c1-5-25-12-14-26(15-13-25)20-11-6-17(16-23-20)21(27)24-19-9-7-18(8-10-19)22(2,3)4/h6-11,16H,5,12-15H2,1-4H3,(H,24,27).
What are the key properties of N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide?
N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide has a molecular weight of 366.51 g/mol, XLogP of 3.77, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide is sourced from PubChem (CID 109154737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).