6-chloro-N-(1-cyclohexylpyrrolidin-3-yl)-5-(ethylamino)-3-methoxypyrazine-2-carboxamide

C18H28ClN5O2 — CID 21419062

IUPAC6-chloro-N-(1-cyclohexylpyrrolidin-3-yl)-5-(ethylamino)-3-methoxypyrazine-2-carboxamide
SMILESCCNc1nc(OC)c(C(=O)NC2CCN(C3CCCCC3)C2)nc1Cl
InChIInChI=1S/C18H28ClN5O2/c1-3-20-16-15(19)22-14(18(23-16)26-2)17(25)21-12-9-10-24(11-12)13-7-5-4-6-8-13/h12-13H,3-11H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyXRSIOTKAPVOZBM-UHFFFAOYSA-N
MW381.91 g/mol
LogP2.71
Rot. Bonds6

About 6-chloro-N-(1-cyclohexylpyrrolidin-3-yl)-5-(ethylamino)-3-methoxypyrazine-2-carboxamide

6-chloro-N-(1-cyclohexylpyrrolidin-3-yl)-5-(ethylamino)-3-methoxypyrazine-2-carboxamide (PubChem CID 21419062) has the molecular formula C18H28ClN5O2 and a molecular weight of 381.91 g/mol. Its IUPAC name is 6-chloro-N-(1-cyclohexylpyrrolidin-3-yl)-5-(ethylamino)-3-methoxypyrazine-2-carboxamide.

Molecular Properties

Compound Name6-chloro-N-(1-cyclohexylpyrrolidin-3-yl)-5-(ethylamino)-3-methoxypyrazine-2-carboxamide
PubChem CID21419062
Molecular FormulaC18H28ClN5O2
Molecular Weight381.91 g/mol
Exact Mass381.19
IUPAC Name6-chloro-N-(1-cyclohexylpyrrolidin-3-yl)-5-(ethylamino)-3-methoxypyrazine-2-carboxamide
SMILESCCNc1nc(OC)c(C(=O)NC2CCN(C3CCCCC3)C2)nc1Cl
InChIInChI=1S/C18H28ClN5O2/c1-3-20-16-15(19)22-14(18(23-16)26-2)17(25)21-12-9-10-24(11-12)13-7-5-4-6-8-13/h12-13H,3-11H2,1-2H3,(H,20,23)(H,21,25)
InChIKeyXRSIOTKAPVOZBM-UHFFFAOYSA-N
XLogP2.71
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.91
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(1-cyclohexylpyrrolidin-3-yl)-5-(ethylamino)-3-methoxypyrazine-2-carboxamide?
The IUPAC name of 6-chloro-N-(1-cyclohexylpyrrolidin-3-yl)-5-(ethylamino)-3-methoxypyrazine-2-carboxamide (CID 21419062) is 6-chloro-N-(1-cyclohexylpyrrolidin-3-yl)-5-(ethylamino)-3-methoxypyrazine-2-carboxamide.
What is the SMILES notation for 6-chloro-N-(1-cyclohexylpyrrolidin-3-yl)-5-(ethylamino)-3-methoxypyrazine-2-carboxamide?
The canonical SMILES for 6-chloro-N-(1-cyclohexylpyrrolidin-3-yl)-5-(ethylamino)-3-methoxypyrazine-2-carboxamide is CCNc1nc(OC)c(C(=O)NC2CCN(C3CCCCC3)C2)nc1Cl.
What is the InChIKey of 6-chloro-N-(1-cyclohexylpyrrolidin-3-yl)-5-(ethylamino)-3-methoxypyrazine-2-carboxamide?
The InChIKey is XRSIOTKAPVOZBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28ClN5O2/c1-3-20-16-15(19)22-14(18(23-16)26-2)17(25)21-12-9-10-24(11-12)13-7-5-4-6-8-13/h12-13H,3-11H2,1-2H3,(H,20,23)(H,21,25).
What are the key properties of 6-chloro-N-(1-cyclohexylpyrrolidin-3-yl)-5-(ethylamino)-3-methoxypyrazine-2-carboxamide?
6-chloro-N-(1-cyclohexylpyrrolidin-3-yl)-5-(ethylamino)-3-methoxypyrazine-2-carboxamide has a molecular weight of 381.91 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(1-cyclohexylpyrrolidin-3-yl)-5-(ethylamino)-3-methoxypyrazine-2-carboxamide is sourced from PubChem (CID 21419062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).