3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide

C12H13ClN4O — CID 54867331

IUPAC3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide
SMILESCc1nccn1-c1ncccc1NC(=O)CCCl
InChIInChI=1S/C12H13ClN4O/c1-9-14-7-8-17(9)12-10(3-2-6-15-12)16-11(18)4-5-13/h2-3,6-8H,4-5H2,1H3,(H,16,18)
InChIKeyVMVRKROPOKIYJI-UHFFFAOYSA-N
MW264.72 g/mol
LogP2.14
Rot. Bonds4

About 3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide

3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide (PubChem CID 54867331) has the molecular formula C12H13ClN4O and a molecular weight of 264.72 g/mol. Its IUPAC name is 3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide.

Molecular Properties

Compound Name3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide
PubChem CID54867331
Molecular FormulaC12H13ClN4O
Molecular Weight264.72 g/mol
Exact Mass264.08
IUPAC Name3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide
SMILESCc1nccn1-c1ncccc1NC(=O)CCCl
InChIInChI=1S/C12H13ClN4O/c1-9-14-7-8-17(9)12-10(3-2-6-15-12)16-11(18)4-5-13/h2-3,6-8H,4-5H2,1H3,(H,16,18)
InChIKeyVMVRKROPOKIYJI-UHFFFAOYSA-N
XLogP2.14
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.72
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

4-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 79203902
5-hydroxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]pentanamide
CID 79199243
2-(methylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 54861926
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
4-ethoxy-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 51093015
3-amino-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]butanamide
CID 54861937
2-(cyclopropylamino)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 60927836
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 75479273
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
2-(2-fluorophenoxy)-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]acetamide
CID 51092996

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide?
The IUPAC name of 3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide (CID 54867331) is 3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide.
What is the SMILES notation for 3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide?
The canonical SMILES for 3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide is Cc1nccn1-c1ncccc1NC(=O)CCCl.
What is the InChIKey of 3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide?
The InChIKey is VMVRKROPOKIYJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN4O/c1-9-14-7-8-17(9)12-10(3-2-6-15-12)16-11(18)4-5-13/h2-3,6-8H,4-5H2,1H3,(H,16,18).
What are the key properties of 3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide?
3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide has a molecular weight of 264.72 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]propanamide is sourced from PubChem (CID 54867331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).