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

C16H22N4O2 — CID 51093014

IUPACN-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(2-methylpropoxy)propanamide
SMILESCc1nccn1-c1ncccc1NC(=O)CCOCC(C)C
InChIInChI=1S/C16H22N4O2/c1-12(2)11-22-10-6-15(21)19-14-5-4-7-18-16(14)20-9-8-17-13(20)3/h4-5,7-9,12H,6,10-11H2,1-3H3,(H,19,21)
InChIKeyXSACCUYGNGWJSI-UHFFFAOYSA-N
MW302.38 g/mol
LogP2.58
Rot. Bonds7

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

N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(2-methylpropoxy)propanamide (PubChem CID 51093014) has the molecular formula C16H22N4O2 and a molecular weight of 302.38 g/mol. Its IUPAC name is N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(2-methylpropoxy)propanamide.

Molecular Properties

Compound NameN-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(2-methylpropoxy)propanamide
PubChem CID51093014
Molecular FormulaC16H22N4O2
Molecular Weight302.38 g/mol
Exact Mass302.17
IUPAC NameN-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(2-methylpropoxy)propanamide
SMILESCc1nccn1-c1ncccc1NC(=O)CCOCC(C)C
InChIInChI=1S/C16H22N4O2/c1-12(2)11-22-10-6-15(21)19-14-5-4-7-18-16(14)20-9-8-17-13(20)3/h4-5,7-9,12H,6,10-11H2,1-3H3,(H,19,21)
InChIKeyXSACCUYGNGWJSI-UHFFFAOYSA-N
XLogP2.58
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.38
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(2-methylpropoxy)propanamide?
The IUPAC name of N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(2-methylpropoxy)propanamide (CID 51093014) is N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(2-methylpropoxy)propanamide.
What is the SMILES notation for N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(2-methylpropoxy)propanamide?
The canonical SMILES for N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(2-methylpropoxy)propanamide is Cc1nccn1-c1ncccc1NC(=O)CCOCC(C)C.
What is the InChIKey of N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(2-methylpropoxy)propanamide?
The InChIKey is XSACCUYGNGWJSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O2/c1-12(2)11-22-10-6-15(21)19-14-5-4-7-18-16(14)20-9-8-17-13(20)3/h4-5,7-9,12H,6,10-11H2,1-3H3,(H,19,21).
What are the key properties of N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(2-methylpropoxy)propanamide?
N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(2-methylpropoxy)propanamide has a molecular weight of 302.38 g/mol, XLogP of 2.58, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-methylimidazol-1-yl)-3-pyridinyl]-3-(2-methylpropoxy)propanamide is sourced from PubChem (CID 51093014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).