2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide

C12H20N4O — CID 80630219

IUPAC2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide
SMILESCc1cc(CN)cnc1N(CC(N)=O)C(C)C
InChIInChI=1S/C12H20N4O/c1-8(2)16(7-11(14)17)12-9(3)4-10(5-13)6-15-12/h4,6,8H,5,7,13H2,1-3H3,(H2,14,17)
InChIKeyUQHFWBZTGBREIY-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.55
Rot. Bonds5

About 2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide

2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide (PubChem CID 80630219) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide.

Molecular Properties

Compound Name2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide
PubChem CID80630219
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide
SMILESCc1cc(CN)cnc1N(CC(N)=O)C(C)C
InChIInChI=1S/C12H20N4O/c1-8(2)16(7-11(14)17)12-9(3)4-10(5-13)6-15-12/h4,6,8H,5,7,13H2,1-3H3,(H2,14,17)
InChIKeyUQHFWBZTGBREIY-UHFFFAOYSA-N
XLogP0.55
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide?
The IUPAC name of 2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide (CID 80630219) is 2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide.
What is the SMILES notation for 2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide?
The canonical SMILES for 2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide is Cc1cc(CN)cnc1N(CC(N)=O)C(C)C.
What is the InChIKey of 2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide?
The InChIKey is UQHFWBZTGBREIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-8(2)16(7-11(14)17)12-9(3)4-10(5-13)6-15-12/h4,6,8H,5,7,13H2,1-3H3,(H2,14,17).
What are the key properties of 2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide?
2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide has a molecular weight of 236.32 g/mol, XLogP of 0.55, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(aminomethyl)-3-methyl-2-pyridinyl]-propan-2-ylamino]acetamide is sourced from PubChem (CID 80630219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).