6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-3-carboxamide

C13H17FN2O2 — CID 103804726

IUPAC6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-3-carboxamide
SMILESCOCCC1(CNC(=O)c2ccc(F)nc2)CC1
InChIInChI=1S/C13H17FN2O2/c1-18-7-6-13(4-5-13)9-16-12(17)10-2-3-11(14)15-8-10/h2-3,8H,4-7,9H2,1H3,(H,16,17)
InChIKeyKMPZXQCQZZYDPK-UHFFFAOYSA-N
MW252.29 g/mol
LogP1.77
Rot. Bonds6

About 6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-3-carboxamide

6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-3-carboxamide (PubChem CID 103804726) 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-3-carboxamide.

Molecular Properties

Compound Name6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-3-carboxamide
PubChem CID103804726
Molecular FormulaC13H17FN2O2
Molecular Weight252.29 g/mol
Exact Mass252.13
IUPAC Name6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-3-carboxamide
SMILESCOCCC1(CNC(=O)c2ccc(F)nc2)CC1
InChIInChI=1S/C13H17FN2O2/c1-18-7-6-13(4-5-13)9-16-12(17)10-2-3-11(14)15-8-10/h2-3,8H,4-7,9H2,1H3,(H,16,17)
InChIKeyKMPZXQCQZZYDPK-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

4-(aminomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 104694588
4-(bromomethyl)-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 114112849
6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-2-carboxamide
CID 113342974
3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-methylbenzamide
CID 103957600
6-[[1-(2-methoxyethyl)cyclopropyl]methylamino]-N,N-dimethylpyridine-3-carboxamide
CID 103794664
3-bromo-4-methoxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]benzamide
CID 103800054
5-bromo-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]thiophene-3-carboxamide
CID 103800048
N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-2-oxo-1,3-dihydroindole-5-carboxamide
CID 103800042
3-hydroxy-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]-4-nitrobenzamide
CID 103801674
2-[(6-(18F)fluoropyridine-3-carbonyl)amino]acetic acid
CID 175904627
6-(dimethylamino)-N-[[1-(hydroxymethyl)cyclopropyl]methyl]pyridine-3-carboxamide
CID 80707921
6-fluoro-N-(2-hydroxypropyl)pyridine-3-carboxamide
CID 63980450

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-3-carboxamide?
The IUPAC name of 6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-3-carboxamide (CID 103804726) is 6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-3-carboxamide.
What is the SMILES notation for 6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-3-carboxamide?
The canonical SMILES for 6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-3-carboxamide is COCCC1(CNC(=O)c2ccc(F)nc2)CC1.
What is the InChIKey of 6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-3-carboxamide?
The InChIKey is KMPZXQCQZZYDPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O2/c1-18-7-6-13(4-5-13)9-16-12(17)10-2-3-11(14)15-8-10/h2-3,8H,4-7,9H2,1H3,(H,16,17).
What are the key properties of 6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-3-carboxamide?
6-fluoro-N-[[1-(2-methoxyethyl)cyclopropyl]methyl]pyridine-3-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-3-carboxamide is sourced from PubChem (CID 103804726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).