[5-fluoro-4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate

C15H15FN2O4 — CID 135154247

IUPAC[5-fluoro-4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CNC(=O)Oc2cc(CO)c(F)cn2)cc1
InChIInChI=1S/C15H15FN2O4/c1-21-12-4-2-10(3-5-12)7-18-15(20)22-14-6-11(9-19)13(16)8-17-14/h2-6,8,19H,7,9H2,1H3,(H,18,20)
InChIKeyIFJUQIFNHQDWNO-UHFFFAOYSA-N
MW306.29 g/mol
LogP2.01
Rot. Bonds5

About [5-fluoro-4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate

[5-fluoro-4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate (PubChem CID 135154247) has the molecular formula C15H15FN2O4 and a molecular weight of 306.29 g/mol. Its IUPAC name is [5-fluoro-4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name[5-fluoro-4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate
PubChem CID135154247
Molecular FormulaC15H15FN2O4
Molecular Weight306.29 g/mol
Exact Mass306.10
IUPAC Name[5-fluoro-4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CNC(=O)Oc2cc(CO)c(F)cn2)cc1
InChIInChI=1S/C15H15FN2O4/c1-21-12-4-2-10(3-5-12)7-18-15(20)22-14-6-11(9-19)13(16)8-17-14/h2-6,8,19H,7,9H2,1H3,(H,18,20)
InChIKeyIFJUQIFNHQDWNO-UHFFFAOYSA-N
XLogP2.01
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.29
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate
CID 140752895
[4-(2-bromoethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate
CID 151482557
1-[(4-fluorophenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]urea
CID 51324930
4-ethoxy-3-fluoro-N-[(4-methoxyphenyl)methyl]benzamide
CID 110762214
[4-(hydroxymethyl)phenyl] N-[(4-methylphenyl)methyl]carbamate
CID 21130773
2-fluoro-N-[(6-methoxy-3-pyridinyl)methyl]-5-methylbenzamide
CID 62513842
3-fluoro-N-[2-[(4-methoxyphenyl)methylcarbamoylamino]ethyl]-4-methylbenzamide
CID 32544617
2-(4-methoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide;hydrochloride
CID 142729709
N-[(4-methoxyphenyl)methyl]acetamide;hydrochloride
CID 139808929
5-(3,4-difluoroanilino)-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 109190451
1-[(4-methoxyphenyl)methyl]-3-[(6-methoxy-3-pyridinyl)methyl]-2-methylguanidine;hydroiodide
CID 111183561
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612

Frequently Asked Questions

What is the IUPAC name of [5-fluoro-4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate?
The IUPAC name of [5-fluoro-4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate (CID 135154247) is [5-fluoro-4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for [5-fluoro-4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate?
The canonical SMILES for [5-fluoro-4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate is COc1ccc(CNC(=O)Oc2cc(CO)c(F)cn2)cc1.
What is the InChIKey of [5-fluoro-4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate?
The InChIKey is IFJUQIFNHQDWNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O4/c1-21-12-4-2-10(3-5-12)7-18-15(20)22-14-6-11(9-19)13(16)8-17-14/h2-6,8,19H,7,9H2,1H3,(H,18,20).
What are the key properties of [5-fluoro-4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate?
[5-fluoro-4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate has a molecular weight of 306.29 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-fluoro-4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 135154247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).