N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide

C11H15FN2O2 — CID 61292678

IUPACN-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide
SMILESCCOCCCNC(=O)c1ccnc(F)c1
InChIInChI=1S/C11H15FN2O2/c1-2-16-7-3-5-14-11(15)9-4-6-13-10(12)8-9/h4,6,8H,2-3,5,7H2,1H3,(H,14,15)
InChIKeyNTTGFCUMFBCYFK-UHFFFAOYSA-N
MW226.25 g/mol
LogP1.38
Rot. Bonds6

About N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide

N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide (PubChem CID 61292678) has the molecular formula C11H15FN2O2 and a molecular weight of 226.25 g/mol. Its IUPAC name is N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide
PubChem CID61292678
Molecular FormulaC11H15FN2O2
Molecular Weight226.25 g/mol
Exact Mass226.11
IUPAC NameN-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide
SMILESCCOCCCNC(=O)c1ccnc(F)c1
InChIInChI=1S/C11H15FN2O2/c1-2-16-7-3-5-14-11(15)9-4-6-13-10(12)8-9/h4,6,8H,2-3,5,7H2,1H3,(H,14,15)
InChIKeyNTTGFCUMFBCYFK-UHFFFAOYSA-N
XLogP1.38
TPSA51.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.25
LogP ≤ 51.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-fluoro-N-(4-methylpentyl)pyridine-4-carboxamide
CID 61293855
2-N,4-N-bis(3-ethoxypropyl)-2-N-hydroxypyridine-2,4-dicarboxamide
CID 54236926
N-[3-(diethylamino)-3-oxopropyl]-2-fluoropyridine-4-carboxamide
CID 61292893
2-fluoro-N-(4-methylsulfanylbutyl)pyridine-4-carboxamide
CID 115635789
N-[2-(2-amino-2-oxoethoxy)ethyl]-2-fluoropyridine-4-carboxamide
CID 103767645
2-(aminomethyl)-N-[3-(2-methoxyethoxy)propyl]pyridine-4-carboxamide
CID 114326285
N-(3-ethoxypropyl)-3-fluoro-4-methoxybenzamide
CID 99610658
N-[2-(dimethylamino)ethyl]-2-fluoropyridine-4-carboxamide
CID 61294521
N-(2-ethoxyethyl)-2-(methylamino)pyridine-4-carboxamide
CID 62185207
N-(3-ethoxypropyl)-3-fluoro-2-(methylamino)pyridine-4-carboxamide
CID 105384594
4-[[3-(3-ethoxypropylcarbamoyl)phenyl]carbamoyl]pyridine-2-carboxylic acid
CID 119180627
2-fluoro-N-[2-[methyl(propan-2-yl)amino]ethyl]pyridine-4-carboxamide
CID 62641304

Frequently Asked Questions

What is the IUPAC name of N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide?
The IUPAC name of N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide (CID 61292678) is N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide?
The canonical SMILES for N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide is CCOCCCNC(=O)c1ccnc(F)c1.
What is the InChIKey of N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide?
The InChIKey is NTTGFCUMFBCYFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN2O2/c1-2-16-7-3-5-14-11(15)9-4-6-13-10(12)8-9/h4,6,8H,2-3,5,7H2,1H3,(H,14,15).
What are the key properties of N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide?
N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide has a molecular weight of 226.25 g/mol, XLogP of 1.38, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethoxypropyl)-2-fluoropyridine-4-carboxamide is sourced from PubChem (CID 61292678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).