5-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide

C16H16ClN3O — CID 107371805

IUPAC5-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide
SMILESCN(C(=O)c1cnc(Cl)cn1)C1CCCc2ccccc21
InChIInChI=1S/C16H16ClN3O/c1-20(16(21)13-9-19-15(17)10-18-13)14-8-4-6-11-5-2-3-7-12(11)14/h2-3,5,7,9-10,14H,4,6,8H2,1H3
InChIKeyGLQLMTVUUPMTKP-UHFFFAOYSA-N
MW301.78 g/mol
LogP3.28
Rot. Bonds2

About 5-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide

5-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide (PubChem CID 107371805) has the molecular formula C16H16ClN3O and a molecular weight of 301.78 g/mol. Its IUPAC name is 5-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide
PubChem CID107371805
Molecular FormulaC16H16ClN3O
Molecular Weight301.78 g/mol
Exact Mass301.10
IUPAC Name5-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide
SMILESCN(C(=O)c1cnc(Cl)cn1)C1CCCc2ccccc21
InChIInChI=1S/C16H16ClN3O/c1-20(16(21)13-9-19-15(17)10-18-13)14-8-4-6-11-5-2-3-7-12(11)14/h2-3,5,7,9-10,14H,4,6,8H2,1H3
InChIKeyGLQLMTVUUPMTKP-UHFFFAOYSA-N
XLogP3.28
TPSA46.09 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.78
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N,6-dimethyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]pyridine-3-carboxamide
CID 31121176
N-(2,3-dihydro-1H-inden-1-yl)-N-methylpyrazine-2-carboxamide
CID 42941214
N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 42916496
N,2-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 134791703
N,4-dimethyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)benzamide
CID 42884040
3-chloro-N,6-dimethyl-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazolo[1,5-a]pyrimidine-2-carboxamide
CID 97124608
2-bromo-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-4-carboxamide
CID 103754184
N-(2,3-dihydro-1H-inden-1-yl)-N-methyl-1,3-oxazole-4-carboxamide
CID 138997641
2-N,2-N,5-N,5-N-tetrakis(1,2,3,4-tetrahydronaphthalen-1-yl)pyridine-2,5-dicarboxamide
CID 54416285
4-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-1H-pyrrole-2-carboxamide
CID 61107600
(2S)-2-amino-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)propanamide
CID 54980190
N-(2,3-dihydro-1H-inden-1-yl)-N,6-dimethylpyridine-2-carboxamide
CID 42944559

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide?
The IUPAC name of 5-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide (CID 107371805) is 5-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide.
What is the SMILES notation for 5-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide?
The canonical SMILES for 5-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide is CN(C(=O)c1cnc(Cl)cn1)C1CCCc2ccccc21.
What is the InChIKey of 5-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide?
The InChIKey is GLQLMTVUUPMTKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16ClN3O/c1-20(16(21)13-9-19-15(17)10-18-13)14-8-4-6-11-5-2-3-7-12(11)14/h2-3,5,7,9-10,14H,4,6,8H2,1H3.
What are the key properties of 5-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide?
5-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide has a molecular weight of 301.78 g/mol, XLogP of 3.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-methyl-N-(1,2,3,4-tetrahydronaphthalen-1-yl)pyrazine-2-carboxamide is sourced from PubChem (CID 107371805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).