N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide

C22H28N2O2 — CID 142616751

IUPACN-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide
SMILESCOc1cc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cn1)CCCCC2
InChIInChI=1S/C22H28N2O2/c1-22(2,3)17-10-11-20(23-14-17)24-21(25)18-12-15-8-6-5-7-9-16(15)13-19(18)26-4/h10-14H,5-9H2,1-4H3,(H,23,24,25)
InChIKeySIIYJGYLRFEFNU-UHFFFAOYSA-N
MW352.48 g/mol
LogP4.91
Rot. Bonds3

About N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide

N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide (PubChem CID 142616751) has the molecular formula C22H28N2O2 and a molecular weight of 352.48 g/mol. Its IUPAC name is N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide
PubChem CID142616751
Molecular FormulaC22H28N2O2
Molecular Weight352.48 g/mol
Exact Mass352.22
IUPAC NameN-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide
SMILESCOc1cc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cn1)CCCCC2
InChIInChI=1S/C22H28N2O2/c1-22(2,3)17-10-11-20(23-14-17)24-21(25)18-12-15-8-6-5-7-9-16(15)13-19(18)26-4/h10-14H,5-9H2,1-4H3,(H,23,24,25)
InChIKeySIIYJGYLRFEFNU-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-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide with MolForge

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Related Compounds

4-methoxy-N-pyridin-2-ylbenzamide
CID 821599
2,4-dimethoxy-N-(5-methylpyridin-2-yl)benzamide
CID 649849
(3-Methoxynaphthalen-2-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 9325257
3-[(2-Methoxy-benzoyl)-hydrazono]-N-pyridin-2-yl-butyramide
CID 9591626
3-methoxy-N-(4-methyl-2-pyridyl)-2-naphthamide
CID 16391032
3-methoxy-N-(5-methyl-2-pyridinyl)-2-naphthalenecarboxamide
CID 16391033
3-ethoxy-N-pyridin-2-ylnaphthalene-2-carboxamide
CID 5302933
2-methoxy-N-(2-pyridinyl)benzamide
CID 689500
3-(6-(3-(dimethylamino)pyrrolidin-1-yl)pyridin-3-yl)-7-(4-methoxy-2-methylphenyl)-4H-chromen-4-one
CID 11547011
N-(5-tert-butyl-2-pyridinyl)-2-methoxy-6,7,8,9-tetrahydro-5H-cyclohepta[b]pyridine-3-carboxamide
CID 142616729
N-methyl-6-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351784
N-(5-bromopyridin-2-yl)-1-methoxynaphthalene-2-carboxamide
CID 603842

Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide?
The IUPAC name of N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide (CID 142616751) is N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide.
What is the SMILES notation for N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide?
The canonical SMILES for N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide is COc1cc2c(cc1C(=O)Nc1ccc(C(C)(C)C)cn1)CCCCC2.
What is the InChIKey of N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide?
The InChIKey is SIIYJGYLRFEFNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O2/c1-22(2,3)17-10-11-20(23-14-17)24-21(25)18-12-15-8-6-5-7-9-16(15)13-19(18)26-4/h10-14H,5-9H2,1-4H3,(H,23,24,25).
What are the key properties of N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide?
N-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-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-(5-tert-butyl-2-pyridinyl)-3-methoxy-6,7,8,9-tetrahydro-5H-benzo[7]annulene-2-carboxamide is sourced from PubChem (CID 142616751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).