6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide

C13H17FN2O2 — CID 113342974

IUPAC6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
SMILESCOCCC1(CNC(=O)c2cccc(F)n2)CC1
InChIInChI=1S/C13H17FN2O2/c1-18-8-7-13(5-6-13)9-15-12(17)10-3-2-4-11(14)16-10/h2-4H,5-9H2,1H3,(H,15,17)
InChIKeyPJLBCMMFMCBUEK-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.77
Rot. Bonds6

About 6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide

6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide (PubChem CID 113342974) has the molecular formula C13H17FN2O2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
PubChem CID113342974
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
SMILESCOCCC1(CNC(=O)c2cccc(F)n2)CC1
InChIInChI=1S/C13H17FN2O2/c1-18-8-7-13(5-6-13)9-15-12(17)10-3-2-4-11(14)16-10/h2-4H,5-9H2,1H3,(H,15,17)
InChIKeyPJLBCMMFMCBUEK-UHFFFAOYSA-N
XLogP1.77
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclobutyl]acetic acid
CID 115496519
6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 103804726
1-[[(6-fluoropyridine-2-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115496541
6-fluoro-N-[(1-hydroxycyclobutyl)methyl]pyridine-2-carboxamide
CID 109389046
6-fluoro-N-pentylpyridine-2-carboxamide
CID 115496637
6-[[1-(2-methoxyethyl)cyclopentyl]methylamino]pyridine-2-carboxylic acid
CID 122048895
6-amino-N-[(1-ethylcyclopropyl)methyl]pyridine-2-carboxamide;hydrochloride
CID 119999117
4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 104694588
6-fluoro-N-[(1-hydroxy-3-methylcyclohexyl)methyl]pyridine-2-carboxamide
CID 113323631
N-[[1-(aminomethyl)cyclopropyl]methyl]-6-methylpyridine-2-carboxamide
CID 115456878
2-(3-hydroxyphenyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]acetamide
CID 103801681
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-1H-indazole-3-carboxamide
CID 103800055

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide?
The IUPAC name of 6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide (CID 113342974) is 6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide.
What is the SMILES notation for 6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide?
The canonical SMILES for 6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide is COCCC1(CNC(=O)c2cccc(F)n2)CC1.
What is the InChIKey of 6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide?
The InChIKey is PJLBCMMFMCBUEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-18-8-7-13(5-6-13)9-15-12(17)10-3-2-4-11(14)16-10/h2-4H,5-9H2,1H3,(H,15,17).
What are the key properties of 6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide?
6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide has a molecular weight of 252.29 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide is sourced from PubChem (CID 113342974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).