6-(4-cyclohepta-1,3,6-trien-1-yl-4-hydroxypiperidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide;ethane

C28H35N3O2 — CID 143994505

IUPAC6-(4-cyclohepta-1,3,6-trien-1-yl-4-hydroxypiperidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide;ethane
SMILESCC.Cc1ccc(NC(=O)c2ccc(N3CCC(O)(C4=CC=CCC=C4)CC3)nc2)cc1C
InChIInChI=1S/C26H29N3O2.C2H6/c1-19-9-11-23(17-20(19)2)28-25(30)21-10-12-24(27-18-21)29-15-13-26(31,14-16-29)22-7-5-3-4-6-8-22;1-2/h3,5-12,17-18,31H,4,13-16H2,1-2H3,(H,28,30);1-2H3
InChIKeyPGBKAWGKVPXBIK-UHFFFAOYSA-N
MW445.61 g/mol
LogP5.75
Rot. Bonds4

About 6-(4-cyclohepta-1,3,6-trien-1-yl-4-hydroxypiperidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide;ethane

6-(4-cyclohepta-1,3,6-trien-1-yl-4-hydroxypiperidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide;ethane (PubChem CID 143994505) has the molecular formula C28H35N3O2 and a molecular weight of 445.61 g/mol. Its IUPAC name is 6-(4-cyclohepta-1,3,6-trien-1-yl-4-hydroxypiperidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide;ethane.

Molecular Properties

Compound Name6-(4-cyclohepta-1,3,6-trien-1-yl-4-hydroxypiperidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide;ethane
PubChem CID143994505
Molecular FormulaC28H35N3O2
Molecular Weight445.61 g/mol
Exact Mass445.27
IUPAC Name6-(4-cyclohepta-1,3,6-trien-1-yl-4-hydroxypiperidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide;ethane
SMILESCC.Cc1ccc(NC(=O)c2ccc(N3CCC(O)(C4=CC=CCC=C4)CC3)nc2)cc1C
InChIInChI=1S/C26H29N3O2.C2H6/c1-19-9-11-23(17-20(19)2)28-25(30)21-10-12-24(27-18-21)29-15-13-26(31,14-16-29)22-7-5-3-4-6-8-22;1-2/h3,5-12,17-18,31H,4,13-16H2,1-2H3,(H,28,30);1-2H3
InChIKeyPGBKAWGKVPXBIK-UHFFFAOYSA-N
XLogP5.75
TPSA65.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.61
LogP ≤ 55.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(3,3-difluoropyrrolidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide
CID 143994451
N-(3,4-dimethylphenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17424831
4-[4-[5-[(3,4-dimethylphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carbonyl]cyclohexane-1-carboxylic acid
CID 91059200
N-(3,4-dimethylphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959344
N-(3-chloro-4-methylphenyl)-6-(4-formylpiperazin-1-yl)pyridine-3-carboxamide
CID 109154932
ethyl 3-[[4-[5-[(3,4-dimethylphenyl)carbamoyl]-2-pyridinyl]piperazine-1-carbonyl]amino]propanoate
CID 143994466
N-(3,4-diaminophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 86248826
ethyl 4-[5-[(3,4-dimethylbenzoyl)amino]-2-pyridinyl]piperazine-1-carboxylate
CID 113014233
6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-N-(4-propan-2-ylphenyl)pyridine-3-carboxamide
CID 109159983
N-(3-chlorophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
CID 109159992
N-(4-iodo-3-methylphenyl)-6-(2H-pyridin-1-yl)pyridine-3-carboxamide
CID 157484375
N-(4-iodophenyl)-6-morpholin-4-ylpyridine-3-carboxamide
CID 17489612

Frequently Asked Questions

What is the IUPAC name of 6-(4-cyclohepta-1,3,6-trien-1-yl-4-hydroxypiperidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide;ethane?
The IUPAC name of 6-(4-cyclohepta-1,3,6-trien-1-yl-4-hydroxypiperidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide;ethane (CID 143994505) is 6-(4-cyclohepta-1,3,6-trien-1-yl-4-hydroxypiperidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide;ethane.
What is the SMILES notation for 6-(4-cyclohepta-1,3,6-trien-1-yl-4-hydroxypiperidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide;ethane?
The canonical SMILES for 6-(4-cyclohepta-1,3,6-trien-1-yl-4-hydroxypiperidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide;ethane is CC.Cc1ccc(NC(=O)c2ccc(N3CCC(O)(C4=CC=CCC=C4)CC3)nc2)cc1C.
What is the InChIKey of 6-(4-cyclohepta-1,3,6-trien-1-yl-4-hydroxypiperidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide;ethane?
The InChIKey is PGBKAWGKVPXBIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O2.C2H6/c1-19-9-11-23(17-20(19)2)28-25(30)21-10-12-24(27-18-21)29-15-13-26(31,14-16-29)22-7-5-3-4-6-8-22;1-2/h3,5-12,17-18,31H,4,13-16H2,1-2H3,(H,28,30);1-2H3.
What are the key properties of 6-(4-cyclohepta-1,3,6-trien-1-yl-4-hydroxypiperidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide;ethane?
6-(4-cyclohepta-1,3,6-trien-1-yl-4-hydroxypiperidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide;ethane has a molecular weight of 445.61 g/mol, XLogP of 5.75, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-cyclohepta-1,3,6-trien-1-yl-4-hydroxypiperidin-1-yl)-N-(3,4-dimethylphenyl)pyridine-3-carboxamide;ethane is sourced from PubChem (CID 143994505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).