N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide

C22H28N2O2 — CID 142616752

IUPACN-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cc1)CCCCC2
InChIInChI=1S/C22H28N2O2/c1-22(2,3)16-10-12-17(13-11-16)23-20(25)18-14-15-8-6-5-7-9-19(15)24-21(18)26-4/h10-14H,5-9H2,1-4H3,(H,23,25)
InChIKeyNNWNVIMFLGWIBS-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.91
Rot. Bonds3

About N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide

N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide (PubChem CID 142616752) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide
PubChem CID142616752
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide
SMILESCOc1nc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cc1)CCCCC2
InChIInChI=1S/C22H28N2O2/c1-22(2,3)16-10-12-17(13-11-16)23-20(25)18-14-15-8-6-5-7-9-19(15)24-21(18)26-4/h10-14H,5-9H2,1-4H3,(H,23,25)
InChIKeyNNWNVIMFLGWIBS-UHFFFAOYSA-N
XLogP4.91
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide with MolForge

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Related Compounds

N-cycloheptyl-2-[(4-fluorophenyl)methoxy]-6-methylpyridine-3-carboxamide
CID 162655994
N-cycloheptyl-5-(4-fluorophenyl)-2-[(4-fluorophenyl)methoxy]-6-methylpyridine-3-carboxamide
CID 162671694
N-(2-hydroxyethyl)-2-methoxy-6-(2-methyl-3-phenylphenyl)pyridine-3-carboxamide
CID 166627372
2-Methoxy-4,6-dimethylnicotinamide
CID 602012
2,6-dimethoxy-N-(4-pyrrolidin-3-ylphenyl)pyridine-3-carboxamide
CID 58315575
2-Ethoxy-6-methylpyridine-3-carboxamide
CID 129934981
6-(4-Acrylamidophenyl)-2-(4-phenoxyphenyl)nicotinamide
CID 117977258
3-Quinolinecarboxamide, 5,6,7,8-tetrahydro-2-ethoxy-
CID 3075003
3-Quinolinecarboxamide, 5,6,7,8-tetrahydro-2-propoxy-
CID 3075004
3-Quinolinecarboxamide, 5,6,7,8-tetrahydro-2-(1-methylethoxy)-
CID 3075005
3-Quinolinecarboxamide, 5,6,7,8-tetrahydro-2-butoxy-
CID 3075006
3-Quinolinecarboxamide, 5,6,7,8-tetrahydro-2-(2-methylpropoxy)-
CID 3075007

Frequently Asked Questions

What is the IUPAC name of N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide?
The IUPAC name of N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide (CID 142616752) is N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide.
What is the SMILES notation for N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide?
The canonical SMILES for N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide is COc1nc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cc1)CCCCC2.
What is the InChIKey of N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide?
The InChIKey is NNWNVIMFLGWIBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-22(2,3)16-10-12-17(13-11-16)23-20(25)18-14-15-8-6-5-7-9-19(15)24-21(18)26-4/h10-14H,5-9H2,1-4H3,(H,23,25).
What are the key properties of N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide?
N-(4-tert-butylphenyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide has a molecular weight of 352.48 g/mol, XLogP of 4.91, 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)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide is sourced from PubChem (CID 142616752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).