N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-fluoropyridine-4-carboxamide

C15H15FN2O3 — CID 64950704

IUPACN-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-fluoropyridine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccncc2F)cc1CO
InChIInChI=1S/C15H15FN2O3/c1-2-21-14-4-3-11(7-10(14)9-19)18-15(20)12-5-6-17-8-13(12)16/h3-8,19H,2,9H2,1H3,(H,18,20)
InChIKeyOSCRGNDQRGAWDR-UHFFFAOYSA-N
MW290.29 g/mol
LogP2.36
Rot. Bonds5

About N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-fluoropyridine-4-carboxamide

N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-fluoropyridine-4-carboxamide (PubChem CID 64950704) has the molecular formula C15H15FN2O3 and a molecular weight of 290.29 g/mol. Its IUPAC name is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-fluoropyridine-4-carboxamide.

Molecular Properties

Compound NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-fluoropyridine-4-carboxamide
PubChem CID64950704
Molecular FormulaC15H15FN2O3
Molecular Weight290.29 g/mol
Exact Mass290.11
IUPAC NameN-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-fluoropyridine-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2ccncc2F)cc1CO
InChIInChI=1S/C15H15FN2O3/c1-2-21-14-4-3-11(7-10(14)9-19)18-15(20)12-5-6-17-8-13(12)16/h3-8,19H,2,9H2,1H3,(H,18,20)
InChIKeyOSCRGNDQRGAWDR-UHFFFAOYSA-N
XLogP2.36
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.29
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-ethoxy-3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 61015216
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-1,3-thiazole-5-carboxamide
CID 103868856
N-[4-ethoxy-3-(hydroxymethyl)phenyl]propanamide
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N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-hydroxybenzamide
CID 61014959
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-4-methylbenzamide
CID 61013736
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2,2-difluoroacetamide
CID 103513891
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-2-methylpropanamide
CID 61015215
ethyl N-[4-ethoxy-3-(hydroxymethyl)phenyl]carbamate
CID 54903026
N-[4-ethoxy-3-(hydroxymethyl)phenyl]imidazole-1-carboxamide
CID 81257543
N-(4-chloro-3-methoxyphenyl)-3-fluoropyridine-4-carboxamide
CID 99842680
3-[4-ethoxy-3-(hydroxymethyl)anilino]-3-oxopropanoic acid
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CID 61013976

Frequently Asked Questions

What is the IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-fluoropyridine-4-carboxamide?
The IUPAC name of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-fluoropyridine-4-carboxamide (CID 64950704) is N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-fluoropyridine-4-carboxamide.
What is the SMILES notation for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-fluoropyridine-4-carboxamide?
The canonical SMILES for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-fluoropyridine-4-carboxamide is CCOc1ccc(NC(=O)c2ccncc2F)cc1CO.
What is the InChIKey of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-fluoropyridine-4-carboxamide?
The InChIKey is OSCRGNDQRGAWDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O3/c1-2-21-14-4-3-11(7-10(14)9-19)18-15(20)12-5-6-17-8-13(12)16/h3-8,19H,2,9H2,1H3,(H,18,20).
What are the key properties of N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-fluoropyridine-4-carboxamide?
N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-fluoropyridine-4-carboxamide has a molecular weight of 290.29 g/mol, XLogP of 2.36, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-ethoxy-3-(hydroxymethyl)phenyl]-3-fluoropyridine-4-carboxamide is sourced from PubChem (CID 64950704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).