N-(6-bromo-2-methyl-3-pyridinyl)cyclohept-2-ene-1-carboxamide

C14H17BrN2O — CID 141355361

IUPACN-(6-bromo-2-methyl-3-pyridinyl)cyclohept-2-ene-1-carboxamide
SMILESCc1nc(Br)ccc1NC(=O)C1C=CCCCC1
InChIInChI=1S/C14H17BrN2O/c1-10-12(8-9-13(15)16-10)17-14(18)11-6-4-2-3-5-7-11/h4,6,8-9,11H,2-3,5,7H2,1H3,(H,17,18)
InChIKeyPVVYWZOWADFNTI-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.84
Rot. Bonds2

About N-(6-bromo-2-methyl-3-pyridinyl)cyclohept-2-ene-1-carboxamide

N-(6-bromo-2-methyl-3-pyridinyl)cyclohept-2-ene-1-carboxamide (PubChem CID 141355361) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is N-(6-bromo-2-methyl-3-pyridinyl)cyclohept-2-ene-1-carboxamide.

Molecular Properties

Compound NameN-(6-bromo-2-methyl-3-pyridinyl)cyclohept-2-ene-1-carboxamide
PubChem CID141355361
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC NameN-(6-bromo-2-methyl-3-pyridinyl)cyclohept-2-ene-1-carboxamide
SMILESCc1nc(Br)ccc1NC(=O)C1C=CCCCC1
InChIInChI=1S/C14H17BrN2O/c1-10-12(8-9-13(15)16-10)17-14(18)11-6-4-2-3-5-7-11/h4,6,8-9,11H,2-3,5,7H2,1H3,(H,17,18)
InChIKeyPVVYWZOWADFNTI-UHFFFAOYSA-N
XLogP3.84
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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N-(6-bromo-2-methyl-3-pyridinyl)-2-oxo-1,3-thiazolidine-4-carboxamide
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N-(6-bromo-2-methyl-3-pyridinyl)-2,3-dihydro-1-benzothiophene-2-carboxamide
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N-(6-bromo-2-methyl-3-pyridinyl)-4-methoxypyrrolidine-2-carboxamide
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tert-butyl N-(6-bromo-2-methyl-3-pyridinyl)carbamate
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N-(6-bromo-2-methyl-3-pyridinyl)-2-pyrrolidin-3-ylacetamide
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N-(6-chloro-2-methyl-3-pyridinyl)-2-methylcyclopentane-1-carboxamide
CID 107301087
N-(6-bromo-2-methyl-3-pyridinyl)pyridine-3-carboxamide
CID 103909634
N-(6-bromo-2-methyl-3-pyridinyl)pyridine-2-carboxamide
CID 103909689

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)cyclohept-2-ene-1-carboxamide?
The IUPAC name of N-(6-bromo-2-methyl-3-pyridinyl)cyclohept-2-ene-1-carboxamide (CID 141355361) is N-(6-bromo-2-methyl-3-pyridinyl)cyclohept-2-ene-1-carboxamide.
What is the SMILES notation for N-(6-bromo-2-methyl-3-pyridinyl)cyclohept-2-ene-1-carboxamide?
The canonical SMILES for N-(6-bromo-2-methyl-3-pyridinyl)cyclohept-2-ene-1-carboxamide is Cc1nc(Br)ccc1NC(=O)C1C=CCCCC1.
What is the InChIKey of N-(6-bromo-2-methyl-3-pyridinyl)cyclohept-2-ene-1-carboxamide?
The InChIKey is PVVYWZOWADFNTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-10-12(8-9-13(15)16-10)17-14(18)11-6-4-2-3-5-7-11/h4,6,8-9,11H,2-3,5,7H2,1H3,(H,17,18).
What are the key properties of N-(6-bromo-2-methyl-3-pyridinyl)cyclohept-2-ene-1-carboxamide?
N-(6-bromo-2-methyl-3-pyridinyl)cyclohept-2-ene-1-carboxamide has a molecular weight of 309.21 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-bromo-2-methyl-3-pyridinyl)cyclohept-2-ene-1-carboxamide is sourced from PubChem (CID 141355361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).