2-[(2-amino-2-oxoethyl)-(2-amino-1-pyridin-3-ylpropyl)amino]acetamide

C12H19N5O2 — CID 62923105

IUPAC2-[(2-amino-2-oxoethyl)-(2-amino-1-pyridin-3-ylpropyl)amino]acetamide
SMILESCC(N)C(c1cccnc1)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C12H19N5O2/c1-8(13)12(9-3-2-4-16-5-9)17(6-10(14)18)7-11(15)19/h2-5,8,12H,6-7,13H2,1H3,(H2,14,18)(H2,15,19)
InChIKeyXCMOUSRPFGNKRC-UHFFFAOYSA-N
MW265.32 g/mol
LogP-1.26
Rot. Bonds7

About 2-[(2-amino-2-oxoethyl)-(2-amino-1-pyridin-3-ylpropyl)amino]acetamide

2-[(2-amino-2-oxoethyl)-(2-amino-1-pyridin-3-ylpropyl)amino]acetamide (PubChem CID 62923105) has the molecular formula C12H19N5O2 and a molecular weight of 265.32 g/mol. Its IUPAC name is 2-[(2-amino-2-oxoethyl)-(2-amino-1-pyridin-3-ylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-2-oxoethyl)-(2-amino-1-pyridin-3-ylpropyl)amino]acetamide
PubChem CID62923105
Molecular FormulaC12H19N5O2
Molecular Weight265.32 g/mol
Exact Mass265.15
IUPAC Name2-[(2-amino-2-oxoethyl)-(2-amino-1-pyridin-3-ylpropyl)amino]acetamide
SMILESCC(N)C(c1cccnc1)N(CC(N)=O)CC(N)=O
InChIInChI=1S/C12H19N5O2/c1-8(13)12(9-3-2-4-16-5-9)17(6-10(14)18)7-11(15)19/h2-5,8,12H,6-7,13H2,1H3,(H2,14,18)(H2,15,19)
InChIKeyXCMOUSRPFGNKRC-UHFFFAOYSA-N
XLogP-1.26
TPSA128.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.32
LogP ≤ 5-1.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-N,1-N-bis(3-methylbutyl)-1-pyridin-3-ylpropane-1,2-diamine
CID 107869311
2-[[2-amino-1-(3-fluorophenyl)propyl]-(2-amino-2-oxoethyl)amino]acetamide
CID 62922758
3-amino-3-pyridin-3-ylpropanamide;methanamine
CID 144589077
1-N-methyl-1-N-(1-methylsulfanylpropan-2-yl)-1-pyridin-3-ylpropane-1,2-diamine
CID 112657794
3,3-dimethyl-4,4-dipyridin-3-ylbutanamide
CID 118946294
2-[propyl(1-pyridin-3-ylethyl)amino]acetic acid
CID 65064646
1-N-methyl-1-N-(2-propan-2-yloxyethyl)-1-pyridin-3-ylpropane-1,2-diamine
CID 81059160
4-methyl-2-pyridin-3-ylpentanamide
CID 68724697
(2R)-2-amino-N-[(1R)-1-pyridin-3-ylethyl]butanediamide
CID 93341134
2-(dimethylamino)-2-pyridin-3-ylacetamide;dihydrochloride
CID 67492420
(4S)-4-amino-4-pyridin-3-ylbutan-2-one
CID 59038480
2-amino-3-pyridin-3-ylbutanoic acid
CID 83906430

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-amino-1-pyridin-3-ylpropyl)amino]acetamide?
The IUPAC name of 2-[(2-amino-2-oxoethyl)-(2-amino-1-pyridin-3-ylpropyl)amino]acetamide (CID 62923105) is 2-[(2-amino-2-oxoethyl)-(2-amino-1-pyridin-3-ylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(2-amino-2-oxoethyl)-(2-amino-1-pyridin-3-ylpropyl)amino]acetamide?
The canonical SMILES for 2-[(2-amino-2-oxoethyl)-(2-amino-1-pyridin-3-ylpropyl)amino]acetamide is CC(N)C(c1cccnc1)N(CC(N)=O)CC(N)=O.
What is the InChIKey of 2-[(2-amino-2-oxoethyl)-(2-amino-1-pyridin-3-ylpropyl)amino]acetamide?
The InChIKey is XCMOUSRPFGNKRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5O2/c1-8(13)12(9-3-2-4-16-5-9)17(6-10(14)18)7-11(15)19/h2-5,8,12H,6-7,13H2,1H3,(H2,14,18)(H2,15,19).
What are the key properties of 2-[(2-amino-2-oxoethyl)-(2-amino-1-pyridin-3-ylpropyl)amino]acetamide?
2-[(2-amino-2-oxoethyl)-(2-amino-1-pyridin-3-ylpropyl)amino]acetamide has a molecular weight of 265.32 g/mol, XLogP of -1.26, 7 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)-(2-amino-1-pyridin-3-ylpropyl)amino]acetamide is sourced from PubChem (CID 62923105), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).