2-[(2-aminoacetyl)amino]-N-[(6-amino-5-methyl-3-pyridinyl)methyl]propanamide

C12H19N5O2 — CID 156851473

IUPAC2-[(2-aminoacetyl)amino]-N-[(6-amino-5-methyl-3-pyridinyl)methyl]propanamide
SMILESCc1cc(CNC(=O)C(C)NC(=O)CN)cnc1N
InChIInChI=1S/C12H19N5O2/c1-7-3-9(5-15-11(7)14)6-16-12(19)8(2)17-10(18)4-13/h3,5,8H,4,6,13H2,1-2H3,(H2,14,15)(H,16,19)(H,17,18)
InChIKeyUVEUUTUVHWEFIL-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.95
Rot. Bonds5

About 2-[(2-aminoacetyl)amino]-N-[(6-amino-5-methyl-3-pyridinyl)methyl]propanamide

2-[(2-aminoacetyl)amino]-N-[(6-amino-5-methyl-3-pyridinyl)methyl]propanamide (PubChem CID 156851473) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[(2-aminoacetyl)amino]-N-[(6-amino-5-methyl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name2-[(2-aminoacetyl)amino]-N-[(6-amino-5-methyl-3-pyridinyl)methyl]propanamide
PubChem CID156851473
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-[(2-aminoacetyl)amino]-N-[(6-amino-5-methyl-3-pyridinyl)methyl]propanamide
SMILESCc1cc(CNC(=O)C(C)NC(=O)CN)cnc1N
InChIInChI=1S/C12H19N5O2/c1-7-3-9(5-15-11(7)14)6-16-12(19)8(2)17-10(18)4-13/h3,5,8H,4,6,13H2,1-2H3,(H2,14,15)(H,16,19)(H,17,18)
InChIKeyUVEUUTUVHWEFIL-UHFFFAOYSA-N
XLogP-0.95
TPSA123.13 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.95
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(2-aminoacetyl)amino]-N-[(6-amino-5-methyl-3-pyridinyl)methyl]propanamide?
The IUPAC name of 2-[(2-aminoacetyl)amino]-N-[(6-amino-5-methyl-3-pyridinyl)methyl]propanamide (CID 156851473) is 2-[(2-aminoacetyl)amino]-N-[(6-amino-5-methyl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for 2-[(2-aminoacetyl)amino]-N-[(6-amino-5-methyl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for 2-[(2-aminoacetyl)amino]-N-[(6-amino-5-methyl-3-pyridinyl)methyl]propanamide is Cc1cc(CNC(=O)C(C)NC(=O)CN)cnc1N.
What is the InChIKey of 2-[(2-aminoacetyl)amino]-N-[(6-amino-5-methyl-3-pyridinyl)methyl]propanamide?
The InChIKey is UVEUUTUVHWEFIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-7-3-9(5-15-11(7)14)6-16-12(19)8(2)17-10(18)4-13/h3,5,8H,4,6,13H2,1-2H3,(H2,14,15)(H,16,19)(H,17,18).
What are the key properties of 2-[(2-aminoacetyl)amino]-N-[(6-amino-5-methyl-3-pyridinyl)methyl]propanamide?
2-[(2-aminoacetyl)amino]-N-[(6-amino-5-methyl-3-pyridinyl)methyl]propanamide has a molecular weight of 265.32 g/mol, XLogP of -0.95, 5 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-aminoacetyl)amino]-N-[(6-amino-5-methyl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 156851473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).