6-[4-[[(1S)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide

C22H26N4O2 — CID 126439353

IUPAC6-[4-[[(1S)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(-c2cncc(C(=O)N(C)C)n2)cc1)C1=CCCCC1
InChIInChI=1S/C22H26N4O2/c1-15(16-7-5-4-6-8-16)24-21(27)18-11-9-17(10-12-18)19-13-23-14-20(25-19)22(28)26(2)3/h7,9-15H,4-6,8H2,1-3H3,(H,24,27)/t15-/m0/s1
InChIKeySFQZHGCPWKRNNR-HNNXBMFYSA-N
MW378.48 g/mol
LogP3.46
Rot. Bonds5

About 6-[4-[[(1S)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide

6-[4-[[(1S)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide (PubChem CID 126439353) has the molecular formula C22H26N4O2 and a molecular weight of 378.48 g/mol. Its IUPAC name is 6-[4-[[(1S)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide.

Molecular Properties

Compound Name6-[4-[[(1S)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide
PubChem CID126439353
Molecular FormulaC22H26N4O2
Molecular Weight378.48 g/mol
Exact Mass378.21
IUPAC Name6-[4-[[(1S)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide
SMILESC[C@H](NC(=O)c1ccc(-c2cncc(C(=O)N(C)C)n2)cc1)C1=CCCCC1
InChIInChI=1S/C22H26N4O2/c1-15(16-7-5-4-6-8-16)24-21(27)18-11-9-17(10-12-18)19-13-23-14-20(25-19)22(28)26(2)3/h7,9-15H,4-6,8H2,1-3H3,(H,24,27)/t15-/m0/s1
InChIKeySFQZHGCPWKRNNR-HNNXBMFYSA-N
XLogP3.46
TPSA75.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.48
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(1R)-1-(cyclohexen-1-yl)ethyl]-4-(3-hydroxy-3-methylbutyl)benzamide
CID 95882818
2-[3-[[(1R)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyridine-3-carboxamide
CID 126454314
N-[1-(cyclohexen-1-yl)ethyl]thiophene-3-carboxamide
CID 131890483
N-[1-(cyclohexen-1-yl)ethyl]-3-[5-(2-hydroxypropan-2-yl)-3-pyridinyl]benzamide
CID 118765933
N,N-dimethyl-6-[4-(1H-pyrazol-4-yl)phenyl]pyrazine-2-carboxamide
CID 155911644
N-[1-(cyclohexen-1-yl)ethyl]-6-oxo-1H-pyridine-2-carboxamide
CID 131912358
2-amino-N-[1-(cyclohexen-1-yl)ethyl]-5,6,7,8-tetrahydroquinazoline-4-carboxamide
CID 131902997
N-[1-(cyclohexen-1-yl)ethyl]-2-[methyl(pyridin-4-ylmethyl)amino]acetamide
CID 91833217
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-1-methyl-2-morpholin-4-ylbenzimidazole-5-carboxamide
CID 97194553
4-[[(1S)-1-(cyclohexen-1-yl)ethyl]amino]-4-oxobutanoic acid
CID 126444702
N'-[1-(cyclohexen-1-yl)ethyl]-N-(4-methylphenyl)propanediamide
CID 56748735
N-[(1S)-1-(cyclohexen-1-yl)ethyl]-3-(2-methyl-7-oxo-6H-pyrazolo[1,5-d][1,2,4]triazin-3-yl)benzamide
CID 125445203

Frequently Asked Questions

What is the IUPAC name of 6-[4-[[(1S)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide?
The IUPAC name of 6-[4-[[(1S)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide (CID 126439353) is 6-[4-[[(1S)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide.
What is the SMILES notation for 6-[4-[[(1S)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide?
The canonical SMILES for 6-[4-[[(1S)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide is C[C@H](NC(=O)c1ccc(-c2cncc(C(=O)N(C)C)n2)cc1)C1=CCCCC1.
What is the InChIKey of 6-[4-[[(1S)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide?
The InChIKey is SFQZHGCPWKRNNR-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H26N4O2/c1-15(16-7-5-4-6-8-16)24-21(27)18-11-9-17(10-12-18)19-13-23-14-20(25-19)22(28)26(2)3/h7,9-15H,4-6,8H2,1-3H3,(H,24,27)/t15-/m0/s1.
What are the key properties of 6-[4-[[(1S)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide?
6-[4-[[(1S)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide has a molecular weight of 378.48 g/mol, XLogP of 3.46, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-[[(1S)-1-(cyclohexen-1-yl)ethyl]carbamoyl]phenyl]-N,N-dimethylpyrazine-2-carboxamide is sourced from PubChem (CID 126439353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).