5-bromo-N-cycloheptyl-1-methyl-4-oxopyridine-3-carboxamide

C14H19BrN2O2 — CID 138047443

IUPAC5-bromo-N-cycloheptyl-1-methyl-4-oxopyridine-3-carboxamide
SMILESCn1cc(Br)c(=O)c(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C14H19BrN2O2/c1-17-8-11(13(18)12(15)9-17)14(19)16-10-6-4-2-3-5-7-10/h8-10H,2-7H2,1H3,(H,16,19)
InChIKeyVLIDPVFVTWDEOV-UHFFFAOYSA-N
MW327.22 g/mol
LogP2.60
Rot. Bonds2

About 5-bromo-N-cycloheptyl-1-methyl-4-oxopyridine-3-carboxamide

5-bromo-N-cycloheptyl-1-methyl-4-oxopyridine-3-carboxamide (PubChem CID 138047443) has the molecular formula C14H19BrN2O2 and a molecular weight of 327.22 g/mol. Its IUPAC name is 5-bromo-N-cycloheptyl-1-methyl-4-oxopyridine-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-cycloheptyl-1-methyl-4-oxopyridine-3-carboxamide
PubChem CID138047443
Molecular FormulaC14H19BrN2O2
Molecular Weight327.22 g/mol
Exact Mass326.06
IUPAC Name5-bromo-N-cycloheptyl-1-methyl-4-oxopyridine-3-carboxamide
SMILESCn1cc(Br)c(=O)c(C(=O)NC2CCCCCC2)c1
InChIInChI=1S/C14H19BrN2O2/c1-17-8-11(13(18)12(15)9-17)14(19)16-10-6-4-2-3-5-7-10/h8-10H,2-7H2,1H3,(H,16,19)
InChIKeyVLIDPVFVTWDEOV-UHFFFAOYSA-N
XLogP2.60
TPSA51.10 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.22
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 42499907
2-bromo-N-cyclooctyl-4-fluorobenzamide
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2-(3-amino-5-bromo-4-oxo-1-pyridinyl)-N-cycloheptylacetamide
CID 103961997
4,5-dibromo-N-cycloheptylthiophene-2-carboxamide
CID 9217766
N-cyclopentyl-1,2,5-trimethylpyrrole-3-carboxamide
CID 110691228
N-cyclooctyl-1-methyl-2-oxopyridine-4-carboxamide
CID 103610769
N-cycloheptyl-1-methyl-4-oxo-7-pentylpyrazolo[5,4-b]pyridine-5-carboxamide
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5-N-cyclopentyl-3-N-(2,2-dimethyloxan-4-yl)-1-(3-methylbutyl)-4-oxopyridine-3,5-dicarboxamide
CID 45249695
4,5-dichloro-1-N,2-N-dicyclohexylbenzene-1,2-dicarboxamide
CID 23880547
N-cyclohexyl-1,3-dimethyl-7-(2-morpholin-4-ylethyl)-4-oxopyrazolo[5,4-b]pyridine-5-carboxamide
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Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-cycloheptyl-1-methyl-4-oxopyridine-3-carboxamide?
The IUPAC name of 5-bromo-N-cycloheptyl-1-methyl-4-oxopyridine-3-carboxamide (CID 138047443) is 5-bromo-N-cycloheptyl-1-methyl-4-oxopyridine-3-carboxamide.
What is the SMILES notation for 5-bromo-N-cycloheptyl-1-methyl-4-oxopyridine-3-carboxamide?
The canonical SMILES for 5-bromo-N-cycloheptyl-1-methyl-4-oxopyridine-3-carboxamide is Cn1cc(Br)c(=O)c(C(=O)NC2CCCCCC2)c1.
What is the InChIKey of 5-bromo-N-cycloheptyl-1-methyl-4-oxopyridine-3-carboxamide?
The InChIKey is VLIDPVFVTWDEOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19BrN2O2/c1-17-8-11(13(18)12(15)9-17)14(19)16-10-6-4-2-3-5-7-10/h8-10H,2-7H2,1H3,(H,16,19).
What are the key properties of 5-bromo-N-cycloheptyl-1-methyl-4-oxopyridine-3-carboxamide?
5-bromo-N-cycloheptyl-1-methyl-4-oxopyridine-3-carboxamide has a molecular weight of 327.22 g/mol, XLogP of 2.60, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-cycloheptyl-1-methyl-4-oxopyridine-3-carboxamide is sourced from PubChem (CID 138047443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).