5-methyl-N-[8-(6-methylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide

C20H23N5O2 — CID 156610314

IUPAC5-methyl-N-[8-(6-methylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide
SMILESCc1ccc(C(=O)N2C3CCC2CC(NC(=O)c2cnc(C)cn2)C3)cn1
InChIInChI=1S/C20H23N5O2/c1-12-3-4-14(10-21-12)20(27)25-16-5-6-17(25)8-15(7-16)24-19(26)18-11-22-13(2)9-23-18/h3-4,9-11,15-17H,5-8H2,1-2H3,(H,24,26)
InChIKeyFDNVRVXZUJYEFM-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.05
Rot. Bonds3

About 5-methyl-N-[8-(6-methylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide

5-methyl-N-[8-(6-methylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide (PubChem CID 156610314) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 5-methyl-N-[8-(6-methylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[8-(6-methylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide
PubChem CID156610314
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name5-methyl-N-[8-(6-methylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide
SMILESCc1ccc(C(=O)N2C3CCC2CC(NC(=O)c2cnc(C)cn2)C3)cn1
InChIInChI=1S/C20H23N5O2/c1-12-3-4-14(10-21-12)20(27)25-16-5-6-17(25)8-15(7-16)24-19(26)18-11-22-13(2)9-23-18/h3-4,9-11,15-17H,5-8H2,1-2H3,(H,24,26)
InChIKeyFDNVRVXZUJYEFM-UHFFFAOYSA-N
XLogP2.05
TPSA88.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[8-(6-methylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide?
The IUPAC name of 5-methyl-N-[8-(6-methylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide (CID 156610314) is 5-methyl-N-[8-(6-methylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide.
What is the SMILES notation for 5-methyl-N-[8-(6-methylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide?
The canonical SMILES for 5-methyl-N-[8-(6-methylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide is Cc1ccc(C(=O)N2C3CCC2CC(NC(=O)c2cnc(C)cn2)C3)cn1.
What is the InChIKey of 5-methyl-N-[8-(6-methylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide?
The InChIKey is FDNVRVXZUJYEFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-12-3-4-14(10-21-12)20(27)25-16-5-6-17(25)8-15(7-16)24-19(26)18-11-22-13(2)9-23-18/h3-4,9-11,15-17H,5-8H2,1-2H3,(H,24,26).
What are the key properties of 5-methyl-N-[8-(6-methylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide?
5-methyl-N-[8-(6-methylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide has a molecular weight of 365.44 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[8-(6-methylpyridine-3-carbonyl)-8-azabicyclo[3.2.1]octan-3-yl]pyrazine-2-carboxamide is sourced from PubChem (CID 156610314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).