2-[(2-amino-2-oxoethyl)-[[6-(propylamino)-2-pyridinyl]methyl]amino]acetamide

C13H21N5O2 — CID 79230668

IUPAC2-[(2-amino-2-oxoethyl)-[[6-(propylamino)-2-pyridinyl]methyl]amino]acetamide
SMILESCCCNc1cccc(CN(CC(N)=O)CC(N)=O)n1
InChIInChI=1S/C13H21N5O2/c1-2-6-16-13-5-3-4-10(17-13)7-18(8-11(14)19)9-12(15)20/h3-5H,2,6-9H2,1H3,(H2,14,19)(H2,15,20)(H,16,17)
InChIKeyMNUFZRKZOAEPIU-UHFFFAOYSA-N
MW279.34 g/mol
LogP-0.32
Rot. Bonds9

About 2-[(2-amino-2-oxoethyl)-[[6-(propylamino)-2-pyridinyl]methyl]amino]acetamide

2-[(2-amino-2-oxoethyl)-[[6-(propylamino)-2-pyridinyl]methyl]amino]acetamide (PubChem CID 79230668) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-[[6-(propylamino)-2-pyridinyl]methyl]amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-[[6-(propylamino)-2-pyridinyl]methyl]amino]acetamide
PubChem CID79230668
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name2-[(2-amino-2-oxoethyl)-[[6-(propylamino)-2-pyridinyl]methyl]amino]acetamide
SMILESCCCNc1cccc(CN(CC(N)=O)CC(N)=O)n1
InChIInChI=1S/C13H21N5O2/c1-2-6-16-13-5-3-4-10(17-13)7-18(8-11(14)19)9-12(15)20/h3-5H,2,6-9H2,1H3,(H2,14,19)(H2,15,20)(H,16,17)
InChIKeyMNUFZRKZOAEPIU-UHFFFAOYSA-N
XLogP-0.32
TPSA114.34 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 5-0.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[[6-(propylamino)-2-pyridinyl]amino]ethoxy]acetamide
CID 106241754
6-[[benzyl(ethyl)amino]methyl]-N-propylpyridin-2-amine
CID 79233870
6-[[ethyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 79481796
2-[2,2-difluoroethyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]ethanol
CID 107486212
2-[[6-(propylamino)-2-pyridinyl]amino]ethyl carbamate
CID 83214804
6-[[2-methoxyethyl(3-methoxypropyl)amino]methyl]-N-propylpyridin-2-amine
CID 79234138
6-[[methyl(pentan-3-yl)amino]methyl]-N-propylpyridin-2-amine
CID 79243531
6-[[methyl(2,2,2-trifluoroethyl)amino]methyl]-N-propylpyridin-2-amine
CID 79243620
3-[methyl-[[6-(propylamino)-2-pyridinyl]methyl]amino]propanenitrile
CID 79243775
methyl 2-[[6-(propylamino)-2-pyridinyl]amino]propanoate
CID 80801764
6-[[methyl(2-methylbutyl)amino]methyl]-N-propylpyridin-2-amine
CID 79243172
methyl 2-[[6-(propylamino)-2-pyridinyl]amino]acetate
CID 80778103

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-[[6-(propylamino)-2-pyridinyl]methyl]amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-[[6-(propylamino)-2-pyridinyl]methyl]amino]acetamide (CID 79230668) is 2-[(2-amino-2-oxoethyl)-[[6-(propylamino)-2-pyridinyl]methyl]amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-[[6-(propylamino)-2-pyridinyl]methyl]amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-[[6-(propylamino)-2-pyridinyl]methyl]amino]acetamide is CCCNc1cccc(CN(CC(N)=O)CC(N)=O)n1.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-[[6-(propylamino)-2-pyridinyl]methyl]amino]acetamide?
The InChIKey is MNUFZRKZOAEPIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-2-6-16-13-5-3-4-10(17-13)7-18(8-11(14)19)9-12(15)20/h3-5H,2,6-9H2,1H3,(H2,14,19)(H2,15,20)(H,16,17).
What are the key properties of 2-[(2-amino-2-oxoethyl)-[[6-(propylamino)-2-pyridinyl]methyl]amino]acetamide?
2-[(2-amino-2-oxoethyl)-[[6-(propylamino)-2-pyridinyl]methyl]amino]acetamide has a molecular weight of 279.34 g/mol, XLogP of -0.32, 9 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-2-oxoethyl)-[[6-(propylamino)-2-pyridinyl]methyl]amino]acetamide is sourced from PubChem (CID 79230668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).