N-[5-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]-2-pyridinyl]acetamide

C12H17N5O — CID 120972497

IUPACN-[5-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(CNC2=NCCN2C)cn1
InChIInChI=1S/C12H17N5O/c1-9(18)16-11-4-3-10(7-14-11)8-15-12-13-5-6-17(12)2/h3-4,7H,5-6,8H2,1-2H3,(H,13,15)(H,14,16,18)
InChIKeyMWIMBFNMSCLXFQ-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.43
Rot. Bonds3

About N-[5-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]-2-pyridinyl]acetamide

N-[5-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]-2-pyridinyl]acetamide (PubChem CID 120972497) has the molecular formula C12H17N5O and a molecular weight of 247.30 g/mol. Its IUPAC name is N-[5-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]-2-pyridinyl]acetamide.

Molecular Properties

Compound NameN-[5-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]-2-pyridinyl]acetamide
PubChem CID120972497
Molecular FormulaC12H17N5O
Molecular Weight247.30 g/mol
Exact Mass247.14
IUPAC NameN-[5-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]-2-pyridinyl]acetamide
SMILESCC(=O)Nc1ccc(CNC2=NCCN2C)cn1
InChIInChI=1S/C12H17N5O/c1-9(18)16-11-4-3-10(7-14-11)8-15-12-13-5-6-17(12)2/h3-4,7H,5-6,8H2,1-2H3,(H,13,15)(H,14,16,18)
InChIKeyMWIMBFNMSCLXFQ-UHFFFAOYSA-N
XLogP0.43
TPSA69.62 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-N-[(6-methyl-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969999
1-methyl-N-[[6-[(2-methylpropan-2-yl)oxy]-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120972045
1-methyl-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]-4,5-dihydroimidazol-2-amine
CID 120969672
4-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]benzamide;hydroiodide
CID 120969161
N-[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methyl]-1-methyl-4,5-dihydroimidazol-2-amine
CID 120969794
1-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120969648
1-methyl-N-[[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969647
1-methyl-N-[[6-(2-phenoxyethoxy)-3-pyridinyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969958
1-methyl-N-[[4-(pyrrolidin-1-ylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine
CID 120969271
1-methyl-N-[[4-(methylsulfonylmethyl)phenyl]methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120970164
5-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]furan-2-carboxamide
CID 120970949
1-methyl-N-[(4-propan-2-ylphenyl)methyl]-4,5-dihydroimidazol-2-amine;hydroiodide
CID 120969753

Frequently Asked Questions

What is the IUPAC name of N-[5-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]-2-pyridinyl]acetamide?
The IUPAC name of N-[5-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]-2-pyridinyl]acetamide (CID 120972497) is N-[5-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]-2-pyridinyl]acetamide.
What is the SMILES notation for N-[5-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]-2-pyridinyl]acetamide?
The canonical SMILES for N-[5-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]-2-pyridinyl]acetamide is CC(=O)Nc1ccc(CNC2=NCCN2C)cn1.
What is the InChIKey of N-[5-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]-2-pyridinyl]acetamide?
The InChIKey is MWIMBFNMSCLXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5O/c1-9(18)16-11-4-3-10(7-14-11)8-15-12-13-5-6-17(12)2/h3-4,7H,5-6,8H2,1-2H3,(H,13,15)(H,14,16,18).
What are the key properties of N-[5-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]-2-pyridinyl]acetamide?
N-[5-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]-2-pyridinyl]acetamide has a molecular weight of 247.30 g/mol, XLogP of 0.43, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[[(1-methyl-4,5-dihydroimidazol-2-yl)amino]methyl]-2-pyridinyl]acetamide is sourced from PubChem (CID 120972497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).