2-amino-N-[2-[(6-methyl-3-pyridinyl)methylamino]-2-oxoethyl]acetamide

C11H16N4O2 — CID 62073740

IUPAC2-amino-N-[2-[(6-methyl-3-pyridinyl)methylamino]-2-oxoethyl]acetamide
SMILESCc1ccc(CNC(=O)CNC(=O)CN)cn1
InChIInChI=1S/C11H16N4O2/c1-8-2-3-9(5-13-8)6-14-11(17)7-15-10(16)4-12/h2-3,5H,4,6-7,12H2,1H3,(H,14,17)(H,15,16)
InChIKeySDOJJGXTYXQBIO-UHFFFAOYSA-N
MW236.28 g/mol
LogP-0.92
Rot. Bonds5

About 2-amino-N-[2-[(6-methyl-3-pyridinyl)methylamino]-2-oxoethyl]acetamide

2-amino-N-[2-[(6-methyl-3-pyridinyl)methylamino]-2-oxoethyl]acetamide (PubChem CID 62073740) has the molecular formula C11H16N4O2 and a molecular weight of 236.28 g/mol. Its IUPAC name is 2-amino-N-[2-[(6-methyl-3-pyridinyl)methylamino]-2-oxoethyl]acetamide.

Molecular Properties

Compound Name2-amino-N-[2-[(6-methyl-3-pyridinyl)methylamino]-2-oxoethyl]acetamide
PubChem CID62073740
Molecular FormulaC11H16N4O2
Molecular Weight236.28 g/mol
Exact Mass236.13
IUPAC Name2-amino-N-[2-[(6-methyl-3-pyridinyl)methylamino]-2-oxoethyl]acetamide
SMILESCc1ccc(CNC(=O)CNC(=O)CN)cn1
InChIInChI=1S/C11H16N4O2/c1-8-2-3-9(5-13-8)6-14-11(17)7-15-10(16)4-12/h2-3,5H,4,6-7,12H2,1H3,(H,14,17)(H,15,16)
InChIKeySDOJJGXTYXQBIO-UHFFFAOYSA-N
XLogP-0.92
TPSA97.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.28
LogP ≤ 5-0.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[2-[(5-methylpyrazin-2-yl)methylamino]-2-oxoethyl]acetamide
CID 62847599
2-methoxy-N-[(6-methyl-3-pyridinyl)methyl]acetamide
CID 47043979
5-[(6-methyl-3-pyridinyl)methylamino]-5-oxopentanoic acid
CID 62996023
2-amino-N-[2-oxo-2-(pyridin-4-ylmethylamino)ethyl]acetamide
CID 60848280
N-[(6-methyl-3-pyridinyl)methyl]-3-phenylpropanamide
CID 47038622
1-ethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583860
(2S)-2-amino-N-[(6-methyl-3-pyridinyl)methyl]butanamide
CID 79023254
2-(aminomethyl)-N-[(6-methyl-3-pyridinyl)methyl]pentanamide
CID 62997308
2-amino-N-[2-oxo-2-[(4-sulfamoylphenyl)methylamino]ethyl]acetamide
CID 10756624
1,1-diethyl-3-[(6-methyl-3-pyridinyl)methyl]urea
CID 115583859
3-(3-aminophenyl)-N-[(6-methyl-3-pyridinyl)methyl]propanamide
CID 62995351
N-[(6-methyl-3-pyridinyl)methyl]-4-(propan-2-ylamino)butanamide
CID 62997361

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-[(6-methyl-3-pyridinyl)methylamino]-2-oxoethyl]acetamide?
The IUPAC name of 2-amino-N-[2-[(6-methyl-3-pyridinyl)methylamino]-2-oxoethyl]acetamide (CID 62073740) is 2-amino-N-[2-[(6-methyl-3-pyridinyl)methylamino]-2-oxoethyl]acetamide.
What is the SMILES notation for 2-amino-N-[2-[(6-methyl-3-pyridinyl)methylamino]-2-oxoethyl]acetamide?
The canonical SMILES for 2-amino-N-[2-[(6-methyl-3-pyridinyl)methylamino]-2-oxoethyl]acetamide is Cc1ccc(CNC(=O)CNC(=O)CN)cn1.
What is the InChIKey of 2-amino-N-[2-[(6-methyl-3-pyridinyl)methylamino]-2-oxoethyl]acetamide?
The InChIKey is SDOJJGXTYXQBIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-8-2-3-9(5-13-8)6-14-11(17)7-15-10(16)4-12/h2-3,5H,4,6-7,12H2,1H3,(H,14,17)(H,15,16).
What are the key properties of 2-amino-N-[2-[(6-methyl-3-pyridinyl)methylamino]-2-oxoethyl]acetamide?
2-amino-N-[2-[(6-methyl-3-pyridinyl)methylamino]-2-oxoethyl]acetamide has a molecular weight of 236.28 g/mol, XLogP of -0.92, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-[(6-methyl-3-pyridinyl)methylamino]-2-oxoethyl]acetamide is sourced from PubChem (CID 62073740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).