N-[(5-amino-2-methyl-3-pyridinyl)methyl]acetamide

C9H13N3O — CID 57165481

IUPACN-[(5-amino-2-methyl-3-pyridinyl)methyl]acetamide
SMILESCC(=O)NCc1cc(N)cnc1C
InChIInChI=1S/C9H13N3O/c1-6-8(4-12-7(2)13)3-9(10)5-11-6/h3,5H,4,10H2,1-2H3,(H,12,13)
InChIKeyHPNYBCDTVQCPLI-UHFFFAOYSA-N
MW179.22 g/mol
LogP0.61
Rot. Bonds2

About N-[(5-amino-2-methyl-3-pyridinyl)methyl]acetamide

N-[(5-amino-2-methyl-3-pyridinyl)methyl]acetamide (PubChem CID 57165481) has the molecular formula C9H13N3O and a molecular weight of 179.22 g/mol. Its IUPAC name is N-[(5-amino-2-methyl-3-pyridinyl)methyl]acetamide.

Molecular Properties

Compound NameN-[(5-amino-2-methyl-3-pyridinyl)methyl]acetamide
PubChem CID57165481
Molecular FormulaC9H13N3O
Molecular Weight179.22 g/mol
Exact Mass179.11
IUPAC NameN-[(5-amino-2-methyl-3-pyridinyl)methyl]acetamide
SMILESCC(=O)NCc1cc(N)cnc1C
InChIInChI=1S/C9H13N3O/c1-6-8(4-12-7(2)13)3-9(10)5-11-6/h3,5H,4,10H2,1-2H3,(H,12,13)
InChIKeyHPNYBCDTVQCPLI-UHFFFAOYSA-N
XLogP0.61
TPSA68.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.22
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(5-amino-2-methyl-3-pyridinyl)methyl]acetamide?
The IUPAC name of N-[(5-amino-2-methyl-3-pyridinyl)methyl]acetamide (CID 57165481) is N-[(5-amino-2-methyl-3-pyridinyl)methyl]acetamide.
What is the SMILES notation for N-[(5-amino-2-methyl-3-pyridinyl)methyl]acetamide?
The canonical SMILES for N-[(5-amino-2-methyl-3-pyridinyl)methyl]acetamide is CC(=O)NCc1cc(N)cnc1C.
What is the InChIKey of N-[(5-amino-2-methyl-3-pyridinyl)methyl]acetamide?
The InChIKey is HPNYBCDTVQCPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O/c1-6-8(4-12-7(2)13)3-9(10)5-11-6/h3,5H,4,10H2,1-2H3,(H,12,13).
What are the key properties of N-[(5-amino-2-methyl-3-pyridinyl)methyl]acetamide?
N-[(5-amino-2-methyl-3-pyridinyl)methyl]acetamide has a molecular weight of 179.22 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-amino-2-methyl-3-pyridinyl)methyl]acetamide is sourced from PubChem (CID 57165481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).