3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride

C11H18Cl2N4O2 — CID 75480750

IUPAC3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
SMILESCl.Cl.NCC(=O)NCCC(=O)NCc1ccccn1
InChIInChI=1S/C11H16N4O2.2ClH/c12-7-11(17)14-6-4-10(16)15-8-9-3-1-2-5-13-9;;/h1-3,5H,4,6-8,12H2,(H,14,17)(H,15,16);2*1H
InChIKeySWJBRTFPXABEJS-UHFFFAOYSA-N
MW309.20 g/mol
LogP0.01
Rot. Bonds6

About 3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride

3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride (PubChem CID 75480750) has the molecular formula C11H18Cl2N4O2 and a molecular weight of 309.20 g/mol. Its IUPAC name is 3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride.

Molecular Properties

Compound Name3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
PubChem CID75480750
Molecular FormulaC11H18Cl2N4O2
Molecular Weight309.20 g/mol
Exact Mass308.08
IUPAC Name3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride
SMILESCl.Cl.NCC(=O)NCCC(=O)NCc1ccccn1
InChIInChI=1S/C11H16N4O2.2ClH/c12-7-11(17)14-6-4-10(16)15-8-9-3-1-2-5-13-9;;/h1-3,5H,4,6-8,12H2,(H,14,17)(H,15,16);2*1H
InChIKeySWJBRTFPXABEJS-UHFFFAOYSA-N
XLogP0.01
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.20
LogP ≤ 50.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-iodo-N-(pyridin-2-ylmethyl)propanamide
CID 163408162
N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]benzamide
CID 17154422
7-amino-N-(pyridin-2-ylmethyl)heptanamide
CID 24706457
N,N'-bis(pyridin-2-ylmethyl)heptanediamide;molecular hydrogen
CID 143988612
3-(2,6-dimethylanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023214
3-(cycloheptylamino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023192
4-hydroxy-N-(pyridin-2-ylmethyl)pentanamide
CID 79016708
pyridin-2-ylmethylcarbamothioic S-acid
CID 22756402
3-(4-ethoxyanilino)-N-(pyridin-2-ylmethyl)propanamide
CID 109023245
5-bromo-N-[3-oxo-3-(pyridin-2-ylmethylamino)propyl]furan-2-carboxamide
CID 3237599
N-(2-aminoethyl)-N'-(pyridin-2-ylmethyl)oxamide
CID 43315841
N-prop-2-enyl-N'-(pyridin-2-ylmethyl)butanediamide
CID 51362589

Frequently Asked Questions

What is the IUPAC name of 3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride?
The IUPAC name of 3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride (CID 75480750) is 3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride.
What is the SMILES notation for 3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride?
The canonical SMILES for 3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride is Cl.Cl.NCC(=O)NCCC(=O)NCc1ccccn1.
What is the InChIKey of 3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride?
The InChIKey is SWJBRTFPXABEJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2.2ClH/c12-7-11(17)14-6-4-10(16)15-8-9-3-1-2-5-13-9;;/h1-3,5H,4,6-8,12H2,(H,14,17)(H,15,16);2*1H.
What are the key properties of 3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride?
3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride has a molecular weight of 309.20 g/mol, XLogP of 0.01, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-aminoacetyl)amino]-N-(pyridin-2-ylmethyl)propanamide;dihydrochloride is sourced from PubChem (CID 75480750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).