N-[(4aS,8R,8aS)-6-cyclopentyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyrazine-2-carboxamide

C18H26N4O2 — CID 98810900

IUPACN-[(4aS,8R,8aS)-6-cyclopentyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CN(C2CCCC2)C[C@@H]2CCCO[C@@H]21)c1cnccn1
InChIInChI=1S/C18H26N4O2/c23-18(15-10-19-7-8-20-15)21-16-12-22(14-5-1-2-6-14)11-13-4-3-9-24-17(13)16/h7-8,10,13-14,16-17H,1-6,9,11-12H2,(H,21,23)/t13-,16+,17-/m0/s1
InChIKeyRKLKVFJPGOEERK-XKQJLSEDSA-N
MW330.43 g/mol
LogP1.63
Rot. Bonds3

About N-[(4aS,8R,8aS)-6-cyclopentyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyrazine-2-carboxamide

N-[(4aS,8R,8aS)-6-cyclopentyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyrazine-2-carboxamide (PubChem CID 98810900) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[(4aS,8R,8aS)-6-cyclopentyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(4aS,8R,8aS)-6-cyclopentyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyrazine-2-carboxamide
PubChem CID98810900
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC NameN-[(4aS,8R,8aS)-6-cyclopentyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyrazine-2-carboxamide
SMILESO=C(N[C@@H]1CN(C2CCCC2)C[C@@H]2CCCO[C@@H]21)c1cnccn1
InChIInChI=1S/C18H26N4O2/c23-18(15-10-19-7-8-20-15)21-16-12-22(14-5-1-2-6-14)11-13-4-3-9-24-17(13)16/h7-8,10,13-14,16-17H,1-6,9,11-12H2,(H,21,23)/t13-,16+,17-/m0/s1
InChIKeyRKLKVFJPGOEERK-XKQJLSEDSA-N
XLogP1.63
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(4aS,8R,8aS)-6-cyclopentyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyrazine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(4aS,8R,8aS)-6-cyclopentyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyrazine-2-carboxamide?
The IUPAC name of N-[(4aS,8R,8aS)-6-cyclopentyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyrazine-2-carboxamide (CID 98810900) is N-[(4aS,8R,8aS)-6-cyclopentyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(4aS,8R,8aS)-6-cyclopentyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(4aS,8R,8aS)-6-cyclopentyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyrazine-2-carboxamide is O=C(N[C@@H]1CN(C2CCCC2)C[C@@H]2CCCO[C@@H]21)c1cnccn1.
What is the InChIKey of N-[(4aS,8R,8aS)-6-cyclopentyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyrazine-2-carboxamide?
The InChIKey is RKLKVFJPGOEERK-XKQJLSEDSA-N. The full InChI is InChI=1S/C18H26N4O2/c23-18(15-10-19-7-8-20-15)21-16-12-22(14-5-1-2-6-14)11-13-4-3-9-24-17(13)16/h7-8,10,13-14,16-17H,1-6,9,11-12H2,(H,21,23)/t13-,16+,17-/m0/s1.
What are the key properties of N-[(4aS,8R,8aS)-6-cyclopentyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyrazine-2-carboxamide?
N-[(4aS,8R,8aS)-6-cyclopentyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyrazine-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4aS,8R,8aS)-6-cyclopentyl-2,3,4,4a,5,7,8,8a-octahydropyrano[3,2-c]pyridin-8-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 98810900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).