4-amino-2-methoxy-N-methylpyridine-3-carboxamide

C8H11N3O2 — CID 162361817

IUPAC4-amino-2-methoxy-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1c(N)ccnc1OC
InChIInChI=1S/C8H11N3O2/c1-10-7(12)6-5(9)3-4-11-8(6)13-2/h3-4H,1-2H3,(H2,9,11)(H,10,12)
InChIKeyKNKCAYCBFSBZMA-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.03
Rot. Bonds2

About 4-amino-2-methoxy-N-methylpyridine-3-carboxamide

4-amino-2-methoxy-N-methylpyridine-3-carboxamide (PubChem CID 162361817) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is 4-amino-2-methoxy-N-methylpyridine-3-carboxamide.

Molecular Properties

Compound Name4-amino-2-methoxy-N-methylpyridine-3-carboxamide
PubChem CID162361817
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Name4-amino-2-methoxy-N-methylpyridine-3-carboxamide
SMILESCNC(=O)c1c(N)ccnc1OC
InChIInChI=1S/C8H11N3O2/c1-10-7(12)6-5(9)3-4-11-8(6)13-2/h3-4H,1-2H3,(H2,9,11)(H,10,12)
InChIKeyKNKCAYCBFSBZMA-UHFFFAOYSA-N
XLogP0.03
TPSA77.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-methoxy-N-methylpyridine-3-carboxamide?
The IUPAC name of 4-amino-2-methoxy-N-methylpyridine-3-carboxamide (CID 162361817) is 4-amino-2-methoxy-N-methylpyridine-3-carboxamide.
What is the SMILES notation for 4-amino-2-methoxy-N-methylpyridine-3-carboxamide?
The canonical SMILES for 4-amino-2-methoxy-N-methylpyridine-3-carboxamide is CNC(=O)c1c(N)ccnc1OC.
What is the InChIKey of 4-amino-2-methoxy-N-methylpyridine-3-carboxamide?
The InChIKey is KNKCAYCBFSBZMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-10-7(12)6-5(9)3-4-11-8(6)13-2/h3-4H,1-2H3,(H2,9,11)(H,10,12).
What are the key properties of 4-amino-2-methoxy-N-methylpyridine-3-carboxamide?
4-amino-2-methoxy-N-methylpyridine-3-carboxamide has a molecular weight of 181.19 g/mol, XLogP of 0.03, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-methoxy-N-methylpyridine-3-carboxamide is sourced from PubChem (CID 162361817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).