2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-(2-amino-2-oxoethyl)amino]acetamide

C12H19N5O2 — CID 103182316

IUPAC2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
SMILESCc1cnc(CN(CC(N)=O)CC(N)=O)c(C)c1N
InChIInChI=1S/C12H19N5O2/c1-7-3-16-9(8(2)12(7)15)4-17(5-10(13)18)6-11(14)19/h3H,4-6H2,1-2H3,(H2,13,18)(H2,14,19)(H2,15,16)
InChIKeyLYYAEJYRMVTCBR-UHFFFAOYSA-N
MW265.32 g/mol
LogP-0.95
Rot. Bonds6

About 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-(2-amino-2-oxoethyl)amino]acetamide

2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-(2-amino-2-oxoethyl)amino]acetamide (PubChem CID 103182316) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-(2-amino-2-oxoethyl)amino]acetamide.

Molecular Properties

Compound Name2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
PubChem CID103182316
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-(2-amino-2-oxoethyl)amino]acetamide
SMILESCc1cnc(CN(CC(N)=O)CC(N)=O)c(C)c1N
InChIInChI=1S/C12H19N5O2/c1-7-3-16-9(8(2)12(7)15)4-17(5-10(13)18)6-11(14)19/h3H,4-6H2,1-2H3,(H2,13,18)(H2,14,19)(H2,15,16)
InChIKeyLYYAEJYRMVTCBR-UHFFFAOYSA-N
XLogP-0.95
TPSA128.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-0.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-(2-amino-2-oxoethyl)amino]acetamide?
The IUPAC name of 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-(2-amino-2-oxoethyl)amino]acetamide (CID 103182316) is 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-(2-amino-2-oxoethyl)amino]acetamide.
What is the SMILES notation for 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-(2-amino-2-oxoethyl)amino]acetamide?
The canonical SMILES for 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-(2-amino-2-oxoethyl)amino]acetamide is Cc1cnc(CN(CC(N)=O)CC(N)=O)c(C)c1N.
What is the InChIKey of 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-(2-amino-2-oxoethyl)amino]acetamide?
The InChIKey is LYYAEJYRMVTCBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-7-3-16-9(8(2)12(7)15)4-17(5-10(13)18)6-11(14)19/h3H,4-6H2,1-2H3,(H2,13,18)(H2,14,19)(H2,15,16).
What are the key properties of 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-(2-amino-2-oxoethyl)amino]acetamide?
2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-(2-amino-2-oxoethyl)amino]acetamide has a molecular weight of 265.32 g/mol, XLogP of -0.95, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-amino-3,5-dimethyl-2-pyridinyl)methyl-(2-amino-2-oxoethyl)amino]acetamide is sourced from PubChem (CID 103182316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).