6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(3-ethyl-4-methylphenyl)pyridine-3-carboxamide

C25H34N4O2 — CID 91180810

IUPAC6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(3-ethyl-4-methylphenyl)pyridine-3-carboxamide
SMILESCCc1cc(NC(=O)c2ccc(N3CCN(C(=O)CC(C)(C)C)CC3)nc2)ccc1C
InChIInChI=1S/C25H34N4O2/c1-6-19-15-21(9-7-18(19)2)27-24(31)20-8-10-22(26-17-20)28-11-13-29(14-12-28)23(30)16-25(3,4)5/h7-10,15,17H,6,11-14,16H2,1-5H3,(H,27,31)
InChIKeyOTDZEJJHHAHDQF-UHFFFAOYSA-N
MW422.57 g/mol
LogP4.29
Rot. Bonds5

About 6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(3-ethyl-4-methylphenyl)pyridine-3-carboxamide

6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(3-ethyl-4-methylphenyl)pyridine-3-carboxamide (PubChem CID 91180810) has the molecular formula C25H34N4O2 and a molecular weight of 422.57 g/mol. Its IUPAC name is 6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(3-ethyl-4-methylphenyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(3-ethyl-4-methylphenyl)pyridine-3-carboxamide
PubChem CID91180810
Molecular FormulaC25H34N4O2
Molecular Weight422.57 g/mol
Exact Mass422.27
IUPAC Name6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(3-ethyl-4-methylphenyl)pyridine-3-carboxamide
SMILESCCc1cc(NC(=O)c2ccc(N3CCN(C(=O)CC(C)(C)C)CC3)nc2)ccc1C
InChIInChI=1S/C25H34N4O2/c1-6-19-15-21(9-7-18(19)2)27-24(31)20-8-10-22(26-17-20)28-11-13-29(14-12-28)23(30)16-25(3,4)5/h7-10,15,17H,6,11-14,16H2,1-5H3,(H,27,31)
InChIKeyOTDZEJJHHAHDQF-UHFFFAOYSA-N
XLogP4.29
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.57
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-4-[5-[(3-iodo-4-methylphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 59318126
ethyl 3-[[4-[5-[(3,4-dimethylphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carbonyl]amino]propanoate
CID 143994466
4-[4-[5-[(3,4-dimethylphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 91059200
ethyl 4-[5-[(3,4-dimethylbenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014233
N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
N-(4-tert-butylphenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154737
N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154932
4-chloro-N-[6-(4-propanoylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 42850043
N-[4-chloro-3-(4-fluoroanilino)phenyl]-6-(4-propanoylpiperazin-1-yl)pyridine-3-carboxamide
CID 69262675
6-(4-butanoylpiperazin-1-yl)pyridine-3-carboxylic acid
CID 83967770
6-(4-acetylpiperazin-1-yl)-N-(3-chlorophenyl)pyridine-3-carboxamide
CID 109155130
N-(4-bromophenyl)-6-(4-ethylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154746

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(3-ethyl-4-methylphenyl)pyridine-3-carboxamide?
The IUPAC name of 6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(3-ethyl-4-methylphenyl)pyridine-3-carboxamide (CID 91180810) is 6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(3-ethyl-4-methylphenyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(3-ethyl-4-methylphenyl)pyridine-3-carboxamide?
The canonical SMILES for 6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(3-ethyl-4-methylphenyl)pyridine-3-carboxamide is CCc1cc(NC(=O)c2ccc(N3CCN(C(=O)CC(C)(C)C)CC3)nc2)ccc1C.
What is the InChIKey of 6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(3-ethyl-4-methylphenyl)pyridine-3-carboxamide?
The InChIKey is OTDZEJJHHAHDQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N4O2/c1-6-19-15-21(9-7-18(19)2)27-24(31)20-8-10-22(26-17-20)28-11-13-29(14-12-28)23(30)16-25(3,4)5/h7-10,15,17H,6,11-14,16H2,1-5H3,(H,27,31).
What are the key properties of 6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(3-ethyl-4-methylphenyl)pyridine-3-carboxamide?
6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(3-ethyl-4-methylphenyl)pyridine-3-carboxamide has a molecular weight of 422.57 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]-N-(3-ethyl-4-methylphenyl)pyridine-3-carboxamide is sourced from PubChem (CID 91180810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).