N-(6-amino-4-methyl-1,2-dihydropyridin-3-yl)acetamide

C8H13N3O — CID 86340852

IUPACN-(6-amino-4-methyl-1,2-dihydropyridin-3-yl)acetamide
SMILESCC(=O)NC1=C(C)C=C(N)NC1
InChIInChI=1S/C8H13N3O/c1-5-3-8(9)10-4-7(5)11-6(2)12/h3,10H,4,9H2,1-2H3,(H,11,12)
InChIKeyZKOVXRLGKGYZPU-UHFFFAOYSA-N
MW167.21 g/mol
LogP-0.20
Rot. Bonds1

About N-(6-amino-4-methyl-1,2-dihydropyridin-3-yl)acetamide

N-(6-amino-4-methyl-1,2-dihydropyridin-3-yl)acetamide (PubChem CID 86340852) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is N-(6-amino-4-methyl-1,2-dihydropyridin-3-yl)acetamide.

Molecular Properties

Compound NameN-(6-amino-4-methyl-1,2-dihydropyridin-3-yl)acetamide
PubChem CID86340852
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC NameN-(6-amino-4-methyl-1,2-dihydropyridin-3-yl)acetamide
SMILESCC(=O)NC1=C(C)C=C(N)NC1
InChIInChI=1S/C8H13N3O/c1-5-3-8(9)10-4-7(5)11-6(2)12/h3,10H,4,9H2,1-2H3,(H,11,12)
InChIKeyZKOVXRLGKGYZPU-UHFFFAOYSA-N
XLogP-0.20
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 5-0.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(6-amino-4-methyl-1,2-dihydropyridin-3-yl)acetamide?
The IUPAC name of N-(6-amino-4-methyl-1,2-dihydropyridin-3-yl)acetamide (CID 86340852) is N-(6-amino-4-methyl-1,2-dihydropyridin-3-yl)acetamide.
What is the SMILES notation for N-(6-amino-4-methyl-1,2-dihydropyridin-3-yl)acetamide?
The canonical SMILES for N-(6-amino-4-methyl-1,2-dihydropyridin-3-yl)acetamide is CC(=O)NC1=C(C)C=C(N)NC1.
What is the InChIKey of N-(6-amino-4-methyl-1,2-dihydropyridin-3-yl)acetamide?
The InChIKey is ZKOVXRLGKGYZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-5-3-8(9)10-4-7(5)11-6(2)12/h3,10H,4,9H2,1-2H3,(H,11,12).
What are the key properties of N-(6-amino-4-methyl-1,2-dihydropyridin-3-yl)acetamide?
N-(6-amino-4-methyl-1,2-dihydropyridin-3-yl)acetamide has a molecular weight of 167.21 g/mol, XLogP of -0.20, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-amino-4-methyl-1,2-dihydropyridin-3-yl)acetamide is sourced from PubChem (CID 86340852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).