2-methoxy-N-(3-methoxy-1-bicyclo[1.1.1]pentanyl)-5-methylpyridine-4-carboxamide

C14H18N2O3 — CID 177139003

IUPAC2-methoxy-N-(3-methoxy-1-bicyclo[1.1.1]pentanyl)-5-methylpyridine-4-carboxamide
SMILESCOc1cc(C(=O)NC23CC(OC)(C2)C3)c(C)cn1
InChIInChI=1S/C14H18N2O3/c1-9-5-15-11(18-2)4-10(9)12(17)16-13-6-14(7-13,8-13)19-3/h4-5H,6-8H2,1-3H3,(H,16,17)
InChIKeyMXWJHZSVWZNMAJ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.45
Rot. Bonds4

About 2-methoxy-N-(3-methoxy-1-bicyclo[1.1.1]pentanyl)-5-methylpyridine-4-carboxamide

2-methoxy-N-(3-methoxy-1-bicyclo[1.1.1]pentanyl)-5-methylpyridine-4-carboxamide (PubChem CID 177139003) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is 2-methoxy-N-(3-methoxy-1-bicyclo[1.1.1]pentanyl)-5-methylpyridine-4-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-(3-methoxy-1-bicyclo[1.1.1]pentanyl)-5-methylpyridine-4-carboxamide
PubChem CID177139003
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC Name2-methoxy-N-(3-methoxy-1-bicyclo[1.1.1]pentanyl)-5-methylpyridine-4-carboxamide
SMILESCOc1cc(C(=O)NC23CC(OC)(C2)C3)c(C)cn1
InChIInChI=1S/C14H18N2O3/c1-9-5-15-11(18-2)4-10(9)12(17)16-13-6-14(7-13,8-13)19-3/h4-5H,6-8H2,1-3H3,(H,16,17)
InChIKeyMXWJHZSVWZNMAJ-UHFFFAOYSA-N
XLogP1.45
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-(3-methoxy-1-bicyclo[1.1.1]pentanyl)-5-methylpyridine-4-carboxamide?
The IUPAC name of 2-methoxy-N-(3-methoxy-1-bicyclo[1.1.1]pentanyl)-5-methylpyridine-4-carboxamide (CID 177139003) is 2-methoxy-N-(3-methoxy-1-bicyclo[1.1.1]pentanyl)-5-methylpyridine-4-carboxamide.
What is the SMILES notation for 2-methoxy-N-(3-methoxy-1-bicyclo[1.1.1]pentanyl)-5-methylpyridine-4-carboxamide?
The canonical SMILES for 2-methoxy-N-(3-methoxy-1-bicyclo[1.1.1]pentanyl)-5-methylpyridine-4-carboxamide is COc1cc(C(=O)NC23CC(OC)(C2)C3)c(C)cn1.
What is the InChIKey of 2-methoxy-N-(3-methoxy-1-bicyclo[1.1.1]pentanyl)-5-methylpyridine-4-carboxamide?
The InChIKey is MXWJHZSVWZNMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-9-5-15-11(18-2)4-10(9)12(17)16-13-6-14(7-13,8-13)19-3/h4-5H,6-8H2,1-3H3,(H,16,17).
What are the key properties of 2-methoxy-N-(3-methoxy-1-bicyclo[1.1.1]pentanyl)-5-methylpyridine-4-carboxamide?
2-methoxy-N-(3-methoxy-1-bicyclo[1.1.1]pentanyl)-5-methylpyridine-4-carboxamide has a molecular weight of 262.31 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-(3-methoxy-1-bicyclo[1.1.1]pentanyl)-5-methylpyridine-4-carboxamide is sourced from PubChem (CID 177139003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).