5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

C14H19BrN2O3 — CID 75458341

IUPAC5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)N(C)CCOCC2CC2)cc1Br
InChIInChI=1S/C14H19BrN2O3/c1-9-12(15)7-11(13(18)16-9)14(19)17(2)5-6-20-8-10-3-4-10/h7,10H,3-6,8H2,1-2H3,(H,16,18)
InChIKeyHLVCELCLKCFQOF-UHFFFAOYSA-N
MW343.22 g/mol
LogP1.94
Rot. Bonds6

About 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide

5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (PubChem CID 75458341) has the molecular formula C14H19BrN2O3 and a molecular weight of 343.22 g/mol. Its IUPAC name is 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
PubChem CID75458341
Molecular FormulaC14H19BrN2O3
Molecular Weight343.22 g/mol
Exact Mass342.06
IUPAC Name5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
SMILESCc1[nH]c(=O)c(C(=O)N(C)CCOCC2CC2)cc1Br
InChIInChI=1S/C14H19BrN2O3/c1-9-12(15)7-11(13(18)16-9)14(19)17(2)5-6-20-8-10-3-4-10/h7,10H,3-6,8H2,1-2H3,(H,16,18)
InChIKeyHLVCELCLKCFQOF-UHFFFAOYSA-N
XLogP1.94
TPSA62.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.22
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2,4-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide
CID 103883141
3,5-dibromo-N-[2-(cyclopropylmethoxy)ethyl]-N-methylbenzamide
CID 113349801
5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-2-hydroxy-N-methylbenzamide
CID 103747554
5-bromo-N,N,6-trimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 129393792
N-[2-(cyclopropylmethoxy)ethyl]-3-hydroxy-N,2-dimethylbenzamide
CID 82829120
N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-oxo-1,3-dihydroindole-6-carboxamide
CID 102712580
5-bromo-N-(2-methoxyethyl)-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 129393787
5-bromo-N-cyclopropyl-6-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 129393053
5-chloro-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-1,3,4-thiadiazole-2-carboxamide
CID 80619069
(2S)-2-amino-N-[2-(cyclopropylmethoxy)ethyl]-N-methyl-2-phenylacetamide
CID 104898158
N-[2-(cyclopropylmethoxy)ethyl]-N-methylpiperidine-4-carboxamide;hydrochloride
CID 119340564
5-(cyclopropanecarbonylamino)-N-[2-(cyclopropylmethoxy)ethyl]-N,3-dimethylthiophene-2-carboxamide
CID 71921817

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide (CID 75458341) is 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is Cc1[nH]c(=O)c(C(=O)N(C)CCOCC2CC2)cc1Br.
What is the InChIKey of 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
The InChIKey is HLVCELCLKCFQOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O3/c1-9-12(15)7-11(13(18)16-9)14(19)17(2)5-6-20-8-10-3-4-10/h7,10H,3-6,8H2,1-2H3,(H,16,18).
What are the key properties of 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide?
5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide has a molecular weight of 343.22 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(cyclopropylmethoxy)ethyl]-N,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide is sourced from PubChem (CID 75458341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).