5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid

C13H20N4O2 — CID 83117218

IUPAC5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid
SMILESCN(C)C1(CNc2cnc(C(=O)O)cn2)CCCC1
InChIInChI=1S/C13H20N4O2/c1-17(2)13(5-3-4-6-13)9-16-11-8-14-10(7-15-11)12(18)19/h7-8H,3-6,9H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyGAZWFMDWPSCGHA-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.46
Rot. Bonds5

About 5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid

5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid (PubChem CID 83117218) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid
PubChem CID83117218
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid
SMILESCN(C)C1(CNc2cnc(C(=O)O)cn2)CCCC1
InChIInChI=1S/C13H20N4O2/c1-17(2)13(5-3-4-6-13)9-16-11-8-14-10(7-15-11)12(18)19/h7-8H,3-6,9H2,1-2H3,(H,15,16)(H,18,19)
InChIKeyGAZWFMDWPSCGHA-UHFFFAOYSA-N
XLogP1.46
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[[1-(dimethylamino)cycloheptyl]methylamino]pyridine-2-carboxylic acid
CID 122052738
5-[(1-methoxycarbonylcyclohexyl)methylamino]pyrazine-2-carboxylic acid
CID 122054843
5-[[1-(hydroxymethyl)cyclopropyl]methylamino]pyrazine-2-carboxylic acid
CID 115455525
5-[[1-(2-methoxyethyl)cyclohexyl]methylamino]pyrazine-2-carboxylic acid
CID 122055100
4-[[1-(dimethylamino)cyclopentyl]methylamino]-6-methylpyridine-3-carboxylic acid
CID 83121725
3-chloro-6-[[1-(dimethylamino)cyclopentyl]methylamino]pyridine-2-carboxylic acid
CID 83121539
6-[[1-(dimethylamino)cyclobutyl]methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 105418958
4-[[1-(dimethylamino)cyclopentyl]methylamino]benzoic acid
CID 83121256
N-[[1-(dimethylamino)cyclopentyl]methyl]-5-fluoropyridin-2-amine
CID 83113071
5-[[1-(dimethylamino)cyclobutyl]methyl-methylamino]pyridine-2-carboxylic acid
CID 105418652
2-[[1-(dimethylamino)cyclobutyl]methylamino]-6-propan-2-ylpyridine-4-carboxylic acid
CID 105418612
5-amino-N-[[1-(dimethylamino)cyclopentyl]methyl]pyridine-2-carboxamide
CID 83107440

Frequently Asked Questions

What is the IUPAC name of 5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid (CID 83117218) is 5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid is CN(C)C1(CNc2cnc(C(=O)O)cn2)CCCC1.
What is the InChIKey of 5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid?
The InChIKey is GAZWFMDWPSCGHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-17(2)13(5-3-4-6-13)9-16-11-8-14-10(7-15-11)12(18)19/h7-8H,3-6,9H2,1-2H3,(H,15,16)(H,18,19).
What are the key properties of 5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid?
5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid has a molecular weight of 264.33 g/mol, XLogP of 1.46, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[1-(dimethylamino)cyclopentyl]methylamino]pyrazine-2-carboxylic acid is sourced from PubChem (CID 83117218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).