5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide

C12H15N3O2 — CID 104578528

IUPAC5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
SMILESCC(C)OCCNC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C12H15N3O2/c1-9(2)17-6-5-14-12(16)11-4-3-10(7-13)8-15-11/h3-4,8-9H,5-6H2,1-2H3,(H,14,16)
InChIKeyRBGRTPMPHLHSHS-UHFFFAOYSA-N
MW233.27 g/mol
LogP1.11
Rot. Bonds5

About 5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide

5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide (PubChem CID 104578528) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
PubChem CID104578528
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide
SMILESCC(C)OCCNC(=O)c1ccc(C#N)cn1
InChIInChI=1S/C12H15N3O2/c1-9(2)17-6-5-14-12(16)11-4-3-10(7-13)8-15-11/h3-4,8-9H,5-6H2,1-2H3,(H,14,16)
InChIKeyRBGRTPMPHLHSHS-UHFFFAOYSA-N
XLogP1.11
TPSA75.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-cyano-N-(4-hydroxypentyl)pyridine-2-carboxamide
CID 107300157
5-cyano-N-(3-hydroxy-4-methoxybutyl)pyridine-2-carboxamide
CID 103877415
5-cyano-N-(3-propoxypropyl)pyridine-2-carboxamide
CID 82942469
5-cyano-N-(3-iodopropyl)pyridine-2-carboxamide
CID 114504454
(2S)-4-[(5-cyanopyridine-2-carbonyl)amino]-2-hydroxybutanoic acid
CID 107834949
N-(2-propan-2-yloxyethyl)-5-(propylamino)pyridine-2-carboxamide
CID 104765582
5-cyano-N-prop-2-ynylpyridine-2-carboxamide
CID 63717306
5-cyano-N-[3-(diethylamino)propyl]pyridine-2-carboxamide
CID 63722909
5-cyano-N-(3-methylsulfonylpropyl)pyridine-2-carboxamide
CID 63716783
5-cyano-N-(2-methylsulfinylpropyl)pyridine-2-carboxamide
CID 113336628
N-but-2-ynyl-5-cyanopyridine-2-carboxamide
CID 115866853
5-cyano-N-(2-methylpropoxy)pyridine-2-carboxamide
CID 103829397

Frequently Asked Questions

What is the IUPAC name of 5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide?
The IUPAC name of 5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide (CID 104578528) is 5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide.
What is the SMILES notation for 5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide?
The canonical SMILES for 5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide is CC(C)OCCNC(=O)c1ccc(C#N)cn1.
What is the InChIKey of 5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide?
The InChIKey is RBGRTPMPHLHSHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-9(2)17-6-5-14-12(16)11-4-3-10(7-13)8-15-11/h3-4,8-9H,5-6H2,1-2H3,(H,14,16).
What are the key properties of 5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide?
5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide has a molecular weight of 233.27 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyano-N-(2-propan-2-yloxyethyl)pyridine-2-carboxamide is sourced from PubChem (CID 104578528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).