N-(2-cyanopropyl)-2-fluoro-N-methylpyridine-4-carboxamide

C11H12FN3O — CID 61293660

IUPACN-(2-cyanopropyl)-2-fluoro-N-methylpyridine-4-carboxamide
SMILESCC(C#N)CN(C)C(=O)c1ccnc(F)c1
InChIInChI=1S/C11H12FN3O/c1-8(6-13)7-15(2)11(16)9-3-4-14-10(12)5-9/h3-5,8H,7H2,1-2H3
InChIKeyFUUVMSDYMCODSA-UHFFFAOYSA-N
MW221.23 g/mol
LogP1.45
Rot. Bonds3

About N-(2-cyanopropyl)-2-fluoro-N-methylpyridine-4-carboxamide

N-(2-cyanopropyl)-2-fluoro-N-methylpyridine-4-carboxamide (PubChem CID 61293660) has the molecular formula C11H12FN3O and a molecular weight of 221.23 g/mol. Its IUPAC name is N-(2-cyanopropyl)-2-fluoro-N-methylpyridine-4-carboxamide.

Molecular Properties

Compound NameN-(2-cyanopropyl)-2-fluoro-N-methylpyridine-4-carboxamide
PubChem CID61293660
Molecular FormulaC11H12FN3O
Molecular Weight221.23 g/mol
Exact Mass221.10
IUPAC NameN-(2-cyanopropyl)-2-fluoro-N-methylpyridine-4-carboxamide
SMILESCC(C#N)CN(C)C(=O)c1ccnc(F)c1
InChIInChI=1S/C11H12FN3O/c1-8(6-13)7-15(2)11(16)9-3-4-14-10(12)5-9/h3-5,8H,7H2,1-2H3
InChIKeyFUUVMSDYMCODSA-UHFFFAOYSA-N
XLogP1.45
TPSA56.99 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.23
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-(2-cyanopropyl)-2-fluoro-N-methylpyridine-4-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

2-fluoro-N-methyl-N-propylpyridine-4-carboxamide
CID 61293439
N-[2-(dimethylamino)ethyl]-2-fluoro-N-methylpyridine-4-carboxamide
CID 63693462
2-fluoro-N-[1-[(2-fluoropyridine-4-carbonyl)-methylamino]-4-methylpentan-2-yl]pyridine-4-carboxamide
CID 75392728
4-chloro-N-(2-cyanopropyl)-N-methylpyridine-2-carboxamide
CID 61053221
2-fluoro-N-methyl-N-(2-propan-2-yloxyethyl)pyridine-4-carboxamide
CID 80710277
N-(2-cyanopropyl)-N-methylnaphthalene-2-carboxamide
CID 47205391
4-amino-N-(2-cyanopropyl)-3-iodo-N-methylbenzamide
CID 112750818
N-(2-cyanopropyl)-N-methyl-3-propan-2-yloxybenzamide
CID 62919125
3-bromo-N-(2-cyanopropyl)-N,4-dimethylbenzamide
CID 79467465
4-cyano-N-(2-cyanopropyl)-N-methylbenzamide
CID 47205390
N-ethyl-2-fluoro-N-(2-methylpropyl)pyridine-4-carboxamide
CID 61293621
N-(2-cyanopropyl)-N-methyl-3-propoxybenzamide
CID 55124980

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanopropyl)-2-fluoro-N-methylpyridine-4-carboxamide?
The IUPAC name of N-(2-cyanopropyl)-2-fluoro-N-methylpyridine-4-carboxamide (CID 61293660) is N-(2-cyanopropyl)-2-fluoro-N-methylpyridine-4-carboxamide.
What is the SMILES notation for N-(2-cyanopropyl)-2-fluoro-N-methylpyridine-4-carboxamide?
The canonical SMILES for N-(2-cyanopropyl)-2-fluoro-N-methylpyridine-4-carboxamide is CC(C#N)CN(C)C(=O)c1ccnc(F)c1.
What is the InChIKey of N-(2-cyanopropyl)-2-fluoro-N-methylpyridine-4-carboxamide?
The InChIKey is FUUVMSDYMCODSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12FN3O/c1-8(6-13)7-15(2)11(16)9-3-4-14-10(12)5-9/h3-5,8H,7H2,1-2H3.
What are the key properties of N-(2-cyanopropyl)-2-fluoro-N-methylpyridine-4-carboxamide?
N-(2-cyanopropyl)-2-fluoro-N-methylpyridine-4-carboxamide has a molecular weight of 221.23 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanopropyl)-2-fluoro-N-methylpyridine-4-carboxamide is sourced from PubChem (CID 61293660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).