1-[(5-chloropyrazine-2-carbonyl)amino]cycloheptane-1-carboxylic acid

C13H16ClN3O3 — CID 107371425

IUPAC1-[(5-chloropyrazine-2-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCCC1)c1cnc(Cl)cn1
InChIInChI=1S/C13H16ClN3O3/c14-10-8-15-9(7-16-10)11(18)17-13(12(19)20)5-3-1-2-4-6-13/h7-8H,1-6H2,(H,17,18)(H,19,20)
InChIKeyFCYCFTAOFYVIIL-UHFFFAOYSA-N
MW297.74 g/mol
LogP2.04
Rot. Bonds3

About 1-[(5-chloropyrazine-2-carbonyl)amino]cycloheptane-1-carboxylic acid

1-[(5-chloropyrazine-2-carbonyl)amino]cycloheptane-1-carboxylic acid (PubChem CID 107371425) has the molecular formula C13H16ClN3O3 and a molecular weight of 297.74 g/mol. Its IUPAC name is 1-[(5-chloropyrazine-2-carbonyl)amino]cycloheptane-1-carboxylic acid.

Molecular Properties

Compound Name1-[(5-chloropyrazine-2-carbonyl)amino]cycloheptane-1-carboxylic acid
PubChem CID107371425
Molecular FormulaC13H16ClN3O3
Molecular Weight297.74 g/mol
Exact Mass297.09
IUPAC Name1-[(5-chloropyrazine-2-carbonyl)amino]cycloheptane-1-carboxylic acid
SMILESO=C(NC1(C(=O)O)CCCCCC1)c1cnc(Cl)cn1
InChIInChI=1S/C13H16ClN3O3/c14-10-8-15-9(7-16-10)11(18)17-13(12(19)20)5-3-1-2-4-6-13/h7-8H,1-6H2,(H,17,18)(H,19,20)
InChIKeyFCYCFTAOFYVIIL-UHFFFAOYSA-N
XLogP2.04
TPSA92.18 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.74
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-chloropyrazine-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 114035166
5-chloro-N-(1-cyanocyclooctyl)pyrazine-2-carboxamide
CID 107248634
5-chloro-N-[4-(hydroxymethyl)oxan-4-yl]pyrazine-2-carboxamide
CID 114170033
methyl 1-(pyridine-2-carbonylamino)cyclohexane-1-carboxylate;1-(pyridine-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 162200373
1-[(5-methyl-1,2-oxazole-3-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 28779309
5-chloro-N-[(1-ethylcyclopropyl)methyl]pyrazine-2-carboxamide
CID 107257972
1-[[6-(dimethylamino)pyridine-3-carbonyl]amino]cyclohexane-1-carboxylic acid
CID 43169367
1-(quinoline-2-carbonylamino)cyclohexane-1-carboxylic acid
CID 22712404
1-[(5-chlorothiophene-2-carbonyl)amino]cyclohexane-1-carboxylic acid
CID 43239137
1-(1H-1,2,4-triazole-5-carbonylamino)cycloheptane-1-carboxylic acid
CID 63653820
1-[(5-chloro-2-methylsulfanylpyrimidine-4-carbonyl)amino]cyclobutane-1-carboxylic acid
CID 81158519
4-[(5-bromopyridine-2-carbonyl)amino]oxane-4-carboxylic acid
CID 115291548

Frequently Asked Questions

What is the IUPAC name of 1-[(5-chloropyrazine-2-carbonyl)amino]cycloheptane-1-carboxylic acid?
The IUPAC name of 1-[(5-chloropyrazine-2-carbonyl)amino]cycloheptane-1-carboxylic acid (CID 107371425) is 1-[(5-chloropyrazine-2-carbonyl)amino]cycloheptane-1-carboxylic acid.
What is the SMILES notation for 1-[(5-chloropyrazine-2-carbonyl)amino]cycloheptane-1-carboxylic acid?
The canonical SMILES for 1-[(5-chloropyrazine-2-carbonyl)amino]cycloheptane-1-carboxylic acid is O=C(NC1(C(=O)O)CCCCCC1)c1cnc(Cl)cn1.
What is the InChIKey of 1-[(5-chloropyrazine-2-carbonyl)amino]cycloheptane-1-carboxylic acid?
The InChIKey is FCYCFTAOFYVIIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3O3/c14-10-8-15-9(7-16-10)11(18)17-13(12(19)20)5-3-1-2-4-6-13/h7-8H,1-6H2,(H,17,18)(H,19,20).
What are the key properties of 1-[(5-chloropyrazine-2-carbonyl)amino]cycloheptane-1-carboxylic acid?
1-[(5-chloropyrazine-2-carbonyl)amino]cycloheptane-1-carboxylic acid has a molecular weight of 297.74 g/mol, XLogP of 2.04, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-chloropyrazine-2-carbonyl)amino]cycloheptane-1-carboxylic acid is sourced from PubChem (CID 107371425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).