3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carboxamide

C13H21N5O2 — CID 63870860

IUPAC3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1NCCOC1CCC(N)CC1
InChIInChI=1S/C13H21N5O2/c14-9-1-3-10(4-2-9)20-8-7-18-13-11(12(15)19)16-5-6-17-13/h5-6,9-10H,1-4,7-8,14H2,(H2,15,19)(H,17,18)
InChIKeyLONGHTDHUDGPKM-UHFFFAOYSA-N
MW279.34 g/mol
LogP0.27
Rot. Bonds6

About 3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carboxamide

3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carboxamide (PubChem CID 63870860) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carboxamide
PubChem CID63870860
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carboxamide
SMILESNC(=O)c1nccnc1NCCOC1CCC(N)CC1
InChIInChI=1S/C13H21N5O2/c14-9-1-3-10(4-2-9)20-8-7-18-13-11(12(15)19)16-5-6-17-13/h5-6,9-10H,1-4,7-8,14H2,(H2,15,19)(H,17,18)
InChIKeyLONGHTDHUDGPKM-UHFFFAOYSA-N
XLogP0.27
TPSA116.15 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 50.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-[3-(4-aminocyclohexyl)oxypropylamino]pyridine-3-carboxamide
CID 63869356
2-[2-(4-aminocyclohexyl)oxyethylamino]-6-methylpyridine-3-carboxamide
CID 63871182
N-[2-(4-aminocyclohexyl)oxyethyl]-3-nitropyridin-2-amine
CID 63870698
N-[3-(4-aminocyclohexyl)oxypropyl]-3-bromo-4-methylpyridin-2-amine
CID 106876136
N-[2-(4-aminocyclohexyl)oxyethyl]-3,5-dichloropyridin-2-amine
CID 63869864
3-[2-(2-methoxyethylamino)ethylamino]pyrazine-2-carboxamide
CID 83039830
N-[3-(4-aminocyclohexyl)oxypropyl]-1-methylimidazol-2-amine
CID 63871029
2-[2-(4-aminocyclohexyl)oxyethylamino]-4-chlorobenzamide
CID 63871527
2-[2-(4-aminocyclohexyl)oxyethylamino]-4-methylbenzamide
CID 63870027
N-[2-(4-aminocyclohexyl)oxyethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 63870196
N-[2-(4-aminocyclohexyl)oxyethyl]-2H-triazole-4-carboxamide
CID 55251521
N-[2-(4-aminocyclohexyl)oxyethyl]-2-methylpyridine-4-carboxamide
CID 106753638

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carboxamide?
The IUPAC name of 3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carboxamide (CID 63870860) is 3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carboxamide.
What is the SMILES notation for 3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carboxamide?
The canonical SMILES for 3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carboxamide is NC(=O)c1nccnc1NCCOC1CCC(N)CC1.
What is the InChIKey of 3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carboxamide?
The InChIKey is LONGHTDHUDGPKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c14-9-1-3-10(4-2-9)20-8-7-18-13-11(12(15)19)16-5-6-17-13/h5-6,9-10H,1-4,7-8,14H2,(H2,15,19)(H,17,18).
What are the key properties of 3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carboxamide?
3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carboxamide has a molecular weight of 279.34 g/mol, XLogP of 0.27, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-aminocyclohexyl)oxyethylamino]pyrazine-2-carboxamide is sourced from PubChem (CID 63870860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).