N-(cyclopropylmethyl)-6-fluoro-N-propan-2-ylpyridine-2-carboxamide

C13H17FN2O — CID 115497703

IUPACN-(cyclopropylmethyl)-6-fluoro-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)N(CC1CC1)C(=O)c1cccc(F)n1
InChIInChI=1S/C13H17FN2O/c1-9(2)16(8-10-6-7-10)13(17)11-4-3-5-12(14)15-11/h3-5,9-10H,6-8H2,1-2H3
InChIKeyRYUXLEWAIIIFOH-UHFFFAOYSA-N
MW236.29 g/mol
LogP2.48
Rot. Bonds4

About N-(cyclopropylmethyl)-6-fluoro-N-propan-2-ylpyridine-2-carboxamide

N-(cyclopropylmethyl)-6-fluoro-N-propan-2-ylpyridine-2-carboxamide (PubChem CID 115497703) has the molecular formula C13H17FN2O and a molecular weight of 236.29 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-6-fluoro-N-propan-2-ylpyridine-2-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-6-fluoro-N-propan-2-ylpyridine-2-carboxamide
PubChem CID115497703
Molecular FormulaC13H17FN2O
Molecular Weight236.29 g/mol
Exact Mass236.13
IUPAC NameN-(cyclopropylmethyl)-6-fluoro-N-propan-2-ylpyridine-2-carboxamide
SMILESCC(C)N(CC1CC1)C(=O)c1cccc(F)n1
InChIInChI=1S/C13H17FN2O/c1-9(2)16(8-10-6-7-10)13(17)11-4-3-5-12(14)15-11/h3-5,9-10H,6-8H2,1-2H3
InChIKeyRYUXLEWAIIIFOH-UHFFFAOYSA-N
XLogP2.48
TPSA33.20 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.29
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze N-(cyclopropylmethyl)-6-fluoro-N-propan-2-ylpyridine-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

Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-6-fluoro-N-propan-2-ylpyridine-2-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-6-fluoro-N-propan-2-ylpyridine-2-carboxamide (CID 115497703) is N-(cyclopropylmethyl)-6-fluoro-N-propan-2-ylpyridine-2-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-6-fluoro-N-propan-2-ylpyridine-2-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-6-fluoro-N-propan-2-ylpyridine-2-carboxamide is CC(C)N(CC1CC1)C(=O)c1cccc(F)n1.
What is the InChIKey of N-(cyclopropylmethyl)-6-fluoro-N-propan-2-ylpyridine-2-carboxamide?
The InChIKey is RYUXLEWAIIIFOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O/c1-9(2)16(8-10-6-7-10)13(17)11-4-3-5-12(14)15-11/h3-5,9-10H,6-8H2,1-2H3.
What are the key properties of N-(cyclopropylmethyl)-6-fluoro-N-propan-2-ylpyridine-2-carboxamide?
N-(cyclopropylmethyl)-6-fluoro-N-propan-2-ylpyridine-2-carboxamide has a molecular weight of 236.29 g/mol, XLogP of 2.48, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-6-fluoro-N-propan-2-ylpyridine-2-carboxamide is sourced from PubChem (CID 115497703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).