N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloropyrazine-2-carboxamide

C14H18ClN3O — CID 103186992

IUPACN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloropyrazine-2-carboxamide
SMILESCC(NC(=O)c1cncc(Cl)n1)C1CC2CCC1C2
InChIInChI=1S/C14H18ClN3O/c1-8(11-5-9-2-3-10(11)4-9)17-14(19)12-6-16-7-13(15)18-12/h6-11H,2-5H2,1H3,(H,17,19)
InChIKeyGXQBXCUVJNFBQL-UHFFFAOYSA-N
MW279.77 g/mol
LogP2.68
Rot. Bonds3

About N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloropyrazine-2-carboxamide

N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloropyrazine-2-carboxamide (PubChem CID 103186992) has the molecular formula C14H18ClN3O and a molecular weight of 279.77 g/mol. Its IUPAC name is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloropyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloropyrazine-2-carboxamide
PubChem CID103186992
Molecular FormulaC14H18ClN3O
Molecular Weight279.77 g/mol
Exact Mass279.11
IUPAC NameN-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloropyrazine-2-carboxamide
SMILESCC(NC(=O)c1cncc(Cl)n1)C1CC2CCC1C2
InChIInChI=1S/C14H18ClN3O/c1-8(11-5-9-2-3-10(11)4-9)17-14(19)12-6-16-7-13(15)18-12/h6-11H,2-5H2,1H3,(H,17,19)
InChIKeyGXQBXCUVJNFBQL-UHFFFAOYSA-N
XLogP2.68
TPSA54.88 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.77
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]quinoxaline-2-carboxamide
CID 98487912
6-chloro-N-(1-cyclohexylethyl)pyrazine-2-carboxamide
CID 106551401
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-4-chloropyridine-2-carboxamide
CID 43087425
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-hydroxypyridine-3-carboxamide
CID 63864595
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chloro-1-methylpyrazole-5-carboxamide
CID 98271656
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-5-(ethylamino)pyridine-2-carboxamide
CID 104639772
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 98202188
N-[(1R)-1-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-4-carboxamide
CID 98104808
N-[(1R)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-4-chlorobenzamide
CID 6979705
5-N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-3-N-[(1S)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methylpyrazole-3,5-dicarboxamide
CID 124825401
N-[(1R)-1-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]pyridine-3-carboxamide
CID 124749087
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-1,5-dimethylpyrazole-3-carboxamide
CID 19279628

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloropyrazine-2-carboxamide?
The IUPAC name of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloropyrazine-2-carboxamide (CID 103186992) is N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloropyrazine-2-carboxamide.
What is the SMILES notation for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloropyrazine-2-carboxamide?
The canonical SMILES for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloropyrazine-2-carboxamide is CC(NC(=O)c1cncc(Cl)n1)C1CC2CCC1C2.
What is the InChIKey of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloropyrazine-2-carboxamide?
The InChIKey is GXQBXCUVJNFBQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18ClN3O/c1-8(11-5-9-2-3-10(11)4-9)17-14(19)12-6-16-7-13(15)18-12/h6-11H,2-5H2,1H3,(H,17,19).
What are the key properties of N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloropyrazine-2-carboxamide?
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloropyrazine-2-carboxamide has a molecular weight of 279.77 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-6-chloropyrazine-2-carboxamide is sourced from PubChem (CID 103186992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).