2-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide

C12H15N5O — CID 54861926

IUPAC2-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
SMILESCNCC(=O)Nc1cccnc1-n1ccnc1C
InChIInChI=1S/C12H15N5O/c1-9-14-6-7-17(9)12-10(4-3-5-15-12)16-11(18)8-13-2/h3-7,13H,8H2,1-2H3,(H,16,18)
InChIKeyVUIOAYCNQDUOHK-UHFFFAOYSA-N
MW245.29 g/mol
LogP0.73
Rot. Bonds4

About 2-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide

2-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide (PubChem CID 54861926) has the molecular formula C12H15N5O and a molecular weight of 245.29 g/mol. Its IUPAC name is 2-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide.

Molecular Properties

Compound Name2-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
PubChem CID54861926
Molecular FormulaC12H15N5O
Molecular Weight245.29 g/mol
Exact Mass245.13
IUPAC Name2-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
SMILESCNCC(=O)Nc1cccnc1-n1ccnc1C
InChIInChI=1S/C12H15N5O/c1-9-14-6-7-17(9)12-10(4-3-5-15-12)16-11(18)8-13-2/h3-7,13H,8H2,1-2H3,(H,16,18)
InChIKeyVUIOAYCNQDUOHK-UHFFFAOYSA-N
XLogP0.73
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.29
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide
CID 54867331
4-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide;dihydrochloride
CID 119847732
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 47254863
2-(cyclopropylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 60927836
5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 79199243
4-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 79203902
3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 54861937
2-(2-aminoethoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 79474016
3-(aminomethyl)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 81070893
4-ethoxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 51093015
2-(2-fluorophenoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 51092996
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 75479273

Frequently Asked Questions

What is the IUPAC name of 2-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide?
The IUPAC name of 2-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide (CID 54861926) is 2-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide.
What is the SMILES notation for 2-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide?
The canonical SMILES for 2-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide is CNCC(=O)Nc1cccnc1-n1ccnc1C.
What is the InChIKey of 2-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide?
The InChIKey is VUIOAYCNQDUOHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N5O/c1-9-14-6-7-17(9)12-10(4-3-5-15-12)16-11(18)8-13-2/h3-7,13H,8H2,1-2H3,(H,16,18).
What are the key properties of 2-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide?
2-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide has a molecular weight of 245.29 g/mol, XLogP of 0.73, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide is sourced from PubChem (CID 54861926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).