2-[(2-amino-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide

C12H20N4O — CID 55075613

IUPAC2-[(2-amino-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)Cc1cccnc1N
InChIInChI=1S/C12H20N4O/c1-9(2)6-16(8-11(13)17)7-10-4-3-5-15-12(10)14/h3-5,9H,6-8H2,1-2H3,(H2,13,17)(H2,14,15)
InChIKeyBZJCWBOJXIXKLT-UHFFFAOYSA-N
MW236.32 g/mol
LogP0.61
Rot. Bonds6

About 2-[(2-amino-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide

2-[(2-amino-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide (PubChem CID 55075613) has the molecular formula C12H20N4O and a molecular weight of 236.32 g/mol. Its IUPAC name is 2-[(2-amino-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide.

Molecular Properties

Compound Name2-[(2-amino-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide
PubChem CID55075613
Molecular FormulaC12H20N4O
Molecular Weight236.32 g/mol
Exact Mass236.16
IUPAC Name2-[(2-amino-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide
SMILESCC(C)CN(CC(N)=O)Cc1cccnc1N
InChIInChI=1S/C12H20N4O/c1-9(2)6-16(8-11(13)17)7-10-4-3-5-15-12(10)14/h3-5,9H,6-8H2,1-2H3,(H2,13,17)(H2,14,15)
InChIKeyBZJCWBOJXIXKLT-UHFFFAOYSA-N
XLogP0.61
TPSA85.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.32
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-hydrazinyl-2-oxoethyl)phenyl]methyl-(2-methylpropyl)amino]acetamide
CID 115465431
2-[(3-bromo-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide
CID 82978692
2-[(4,6-dichloro-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide
CID 116518920
2-[(2-aminophenyl)methyl-(pyrimidin-2-ylmethyl)amino]acetamide
CID 62700876
2-[(3,5-dichloro-2-hydroxyphenyl)methyl-(2-methylpropyl)amino]acetamide
CID 82978834
3-(2-methylpropyl)pyridin-2-amine
CID 20771927
2-[(2-amino-3-pyridinyl)methyl-ethylamino]ethanol
CID 62472272
2-[(2-hydrazinyl-3-nitrophenyl)methyl-(2-methylpropyl)amino]acetamide
CID 107352912
2-[(2-carbamoylphenyl)methyl-(2-methylpropyl)amino]acetic acid
CID 63064878
4-amino-1-(2-amino-3-pyridinyl)-3-methylbutan-2-one
CID 116564663
2-[[4-(ethylamino)-2-pyridinyl]methyl-(2-methylpropyl)amino]acetamide
CID 79245129
2-[(2-aminophenyl)methyl-(2,2-difluoroethyl)amino]acetamide
CID 54939184

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide?
The IUPAC name of 2-[(2-amino-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide (CID 55075613) is 2-[(2-amino-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide.
What is the SMILES notation for 2-[(2-amino-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide?
The canonical SMILES for 2-[(2-amino-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide is CC(C)CN(CC(N)=O)Cc1cccnc1N.
What is the InChIKey of 2-[(2-amino-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide?
The InChIKey is BZJCWBOJXIXKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O/c1-9(2)6-16(8-11(13)17)7-10-4-3-5-15-12(10)14/h3-5,9H,6-8H2,1-2H3,(H2,13,17)(H2,14,15).
What are the key properties of 2-[(2-amino-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide?
2-[(2-amino-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide has a molecular weight of 236.32 g/mol, XLogP of 0.61, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-3-pyridinyl)methyl-(2-methylpropyl)amino]acetamide is sourced from PubChem (CID 55075613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).