N-[(1R,5S)-8-(furan-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide

C18H20N4O3 — CID 91912190

IUPACN-[(1R,5S)-8-(furan-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccoc2)cn1
InChIInChI=1S/C18H20N4O3/c1-11-8-20-16(9-19-11)17(23)21-13-6-14-2-3-15(7-13)22(14)18(24)12-4-5-25-10-12/h4-5,8-10,13-15H,2-3,6-7H2,1H3,(H,21,23)/t13?,14-,15+
InChIKeyBOBARDKDLRDCKC-GOOCMWNKSA-N
MW340.38 g/mol
LogP1.94
Rot. Bonds3

About N-[(1R,5S)-8-(furan-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide

N-[(1R,5S)-8-(furan-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide (PubChem CID 91912190) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is N-[(1R,5S)-8-(furan-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1R,5S)-8-(furan-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
PubChem CID91912190
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC NameN-[(1R,5S)-8-(furan-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide
SMILESCc1cnc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccoc2)cn1
InChIInChI=1S/C18H20N4O3/c1-11-8-20-16(9-19-11)17(23)21-13-6-14-2-3-15(7-13)22(14)18(24)12-4-5-25-10-12/h4-5,8-10,13-15H,2-3,6-7H2,1H3,(H,21,23)/t13?,14-,15+
InChIKeyBOBARDKDLRDCKC-GOOCMWNKSA-N
XLogP1.94
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(1R,5S)-8-(furan-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(1R,5S)-8-(furan-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
The IUPAC name of N-[(1R,5S)-8-(furan-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide (CID 91912190) is N-[(1R,5S)-8-(furan-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide.
What is the SMILES notation for N-[(1R,5S)-8-(furan-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
The canonical SMILES for N-[(1R,5S)-8-(furan-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide is Cc1cnc(C(=O)NC2C[C@H]3CC[C@@H](C2)N3C(=O)c2ccoc2)cn1.
What is the InChIKey of N-[(1R,5S)-8-(furan-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
The InChIKey is BOBARDKDLRDCKC-GOOCMWNKSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-11-8-20-16(9-19-11)17(23)21-13-6-14-2-3-15(7-13)22(14)18(24)12-4-5-25-10-12/h4-5,8-10,13-15H,2-3,6-7H2,1H3,(H,21,23)/t13?,14-,15+.
What are the key properties of N-[(1R,5S)-8-(furan-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide?
N-[(1R,5S)-8-(furan-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 1.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,5S)-8-(furan-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]-5-methylpyrazine-2-carboxamide is sourced from PubChem (CID 91912190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).