6-[4-(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide

C27H36N4O — CID 58940703

IUPAC6-[4-(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(c3ccc4c(c3)CCN(C3CCCC3)CC4)CC2)nc1
InChIInChI=1S/C27H36N4O/c1-28-27(32)24-8-9-26(29-19-24)31-16-11-21(12-17-31)22-7-6-20-10-14-30(15-13-23(20)18-22)25-4-2-3-5-25/h6-9,18-19,21,25H,2-5,10-17H2,1H3,(H,28,32)
InChIKeyNXODUPBDDJABFV-UHFFFAOYSA-N
MW432.61 g/mol
LogP4.17
Rot. Bonds4

About 6-[4-(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide

6-[4-(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide (PubChem CID 58940703) has the molecular formula C27H36N4O and a molecular weight of 432.61 g/mol. Its IUPAC name is 6-[4-(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name6-[4-(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
PubChem CID58940703
Molecular FormulaC27H36N4O
Molecular Weight432.61 g/mol
Exact Mass432.29
IUPAC Name6-[4-(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1ccc(N2CCC(c3ccc4c(c3)CCN(C3CCCC3)CC4)CC2)nc1
InChIInChI=1S/C27H36N4O/c1-28-27(32)24-8-9-26(29-19-24)31-16-11-21(12-17-31)22-7-6-20-10-14-30(15-13-23(20)18-22)25-4-2-3-5-25/h6-9,18-19,21,25H,2-5,10-17H2,1H3,(H,28,32)
InChIKeyNXODUPBDDJABFV-UHFFFAOYSA-N
XLogP4.17
TPSA48.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.61
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-[4-(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide with MolForge

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Related Compounds

6-[(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyridine-3-carboxamide
CID 10428924
N-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)methyl]-6-[(3R)-3-methoxypyrrolidin-1-yl]pyridine-3-carboxamide
CID 53304164
3-cyclobutyl-N-[[4-(methylcarbamoyl)phenyl]methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 67161575
5-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-methylpyrimidine-2-carboxamide
CID 68506288
3-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-methylbenzamide
CID 58940727
N-methyl-6-[[3-(2-methylcyclopentyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]oxy]pyridine-3-carboxamide
CID 10429809
4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-3-fluoro-N-methylbenzamide
CID 69447299
3-cyclobutyl-N-[(1-methylimidazol-4-yl)methyl]-1,2,4,5-tetrahydro-3-benzazepine-7-carboxamide
CID 58277851
4-(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-N-(4-methoxyphenyl)piperidine-1-carboxamide
CID 69451741
6-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]pyridine-3-carboxylic acid
CID 69353827
4-[6-(4-cyclopentylpiperazin-1-yl)-3-pyridinyl]benzoic acid
CID 67144831
N-cyclohexyl-6-(6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl)pyridine-3-carboxamide
CID 109152489

Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The IUPAC name of 6-[4-(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide (CID 58940703) is 6-[4-(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 6-[4-(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The canonical SMILES for 6-[4-(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide is CNC(=O)c1ccc(N2CCC(c3ccc4c(c3)CCN(C3CCCC3)CC4)CC2)nc1.
What is the InChIKey of 6-[4-(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide?
The InChIKey is NXODUPBDDJABFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H36N4O/c1-28-27(32)24-8-9-26(29-19-24)31-16-11-21(12-17-31)22-7-6-20-10-14-30(15-13-23(20)18-22)25-4-2-3-5-25/h6-9,18-19,21,25H,2-5,10-17H2,1H3,(H,28,32).
What are the key properties of 6-[4-(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide?
6-[4-(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide has a molecular weight of 432.61 g/mol, XLogP of 4.17, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)piperidin-1-yl]-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 58940703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).