2-[(5-amino-4-methyl-2-pyridinyl)amino]-N-methylacetamide

C9H14N4O — CID 79173022

IUPAC2-[(5-amino-4-methyl-2-pyridinyl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1cc(C)c(N)cn1
InChIInChI=1S/C9H14N4O/c1-6-3-8(12-4-7(6)10)13-5-9(14)11-2/h3-4H,5,10H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyNVBLZQNPEMXPGM-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.13
Rot. Bonds3

About 2-[(5-amino-4-methyl-2-pyridinyl)amino]-N-methylacetamide

2-[(5-amino-4-methyl-2-pyridinyl)amino]-N-methylacetamide (PubChem CID 79173022) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 2-[(5-amino-4-methyl-2-pyridinyl)amino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(5-amino-4-methyl-2-pyridinyl)amino]-N-methylacetamide
PubChem CID79173022
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name2-[(5-amino-4-methyl-2-pyridinyl)amino]-N-methylacetamide
SMILESCNC(=O)CNc1cc(C)c(N)cn1
InChIInChI=1S/C9H14N4O/c1-6-3-8(12-4-7(6)10)13-5-9(14)11-2/h3-4H,5,10H2,1-2H3,(H,11,14)(H,12,13)
InChIKeyNVBLZQNPEMXPGM-UHFFFAOYSA-N
XLogP0.13
TPSA80.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-amino-4-methyl-2-pyridinyl)amino]-N-methylacetamide?
The IUPAC name of 2-[(5-amino-4-methyl-2-pyridinyl)amino]-N-methylacetamide (CID 79173022) is 2-[(5-amino-4-methyl-2-pyridinyl)amino]-N-methylacetamide.
What is the SMILES notation for 2-[(5-amino-4-methyl-2-pyridinyl)amino]-N-methylacetamide?
The canonical SMILES for 2-[(5-amino-4-methyl-2-pyridinyl)amino]-N-methylacetamide is CNC(=O)CNc1cc(C)c(N)cn1.
What is the InChIKey of 2-[(5-amino-4-methyl-2-pyridinyl)amino]-N-methylacetamide?
The InChIKey is NVBLZQNPEMXPGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-6-3-8(12-4-7(6)10)13-5-9(14)11-2/h3-4H,5,10H2,1-2H3,(H,11,14)(H,12,13).
What are the key properties of 2-[(5-amino-4-methyl-2-pyridinyl)amino]-N-methylacetamide?
2-[(5-amino-4-methyl-2-pyridinyl)amino]-N-methylacetamide has a molecular weight of 194.24 g/mol, XLogP of 0.13, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-amino-4-methyl-2-pyridinyl)amino]-N-methylacetamide is sourced from PubChem (CID 79173022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).