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

C15H16N2O4 — CID 140752895

IUPAC[4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CNC(=O)Oc2cc(CO)ccn2)cc1
InChIInChI=1S/C15H16N2O4/c1-20-13-4-2-11(3-5-13)9-17-15(19)21-14-8-12(10-18)6-7-16-14/h2-8,18H,9-10H2,1H3,(H,17,19)
InChIKeyRADWXWDLIASOKQ-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.87
Rot. Bonds5

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

[4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate (PubChem CID 140752895) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is [4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate.

Molecular Properties

Compound Name[4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate
PubChem CID140752895
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name[4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate
SMILESCOc1ccc(CNC(=O)Oc2cc(CO)ccn2)cc1
InChIInChI=1S/C15H16N2O4/c1-20-13-4-2-11(3-5-13)9-17-15(19)21-14-8-12(10-18)6-7-16-14/h2-8,18H,9-10H2,1H3,(H,17,19)
InChIKeyRADWXWDLIASOKQ-UHFFFAOYSA-N
XLogP1.87
TPSA80.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

[4-(2-bromoethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate
CID 151482557
[5-fluoro-4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate
CID 135154247
3-(4-methoxyphenyl)-N-[(2-methoxy-4-pyridinyl)methyl]propanamide
CID 18167253
[4-(hydroxymethyl)phenyl] N-[(4-methylphenyl)methyl]carbamate
CID 21130773
2-(4-methoxyphenoxy)-N-[(2-methoxy-4-pyridinyl)methyl]acetamide
CID 47019682
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612
2-[(4-methoxyphenyl)methylcarbamoyl]pyridine-3-carboxylic acid
CID 19154817
3,6-dichloro-N-[(4-methoxyphenyl)methyl]pyridazine-4-carboxamide
CID 103606489
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
N-[[2-(4-methoxyphenoxy)-4-pyridinyl]methyl]hexanamide
CID 87005868
N-[(2-methoxy-4-pyridinyl)methyl]-2-naphthalen-2-ylacetamide
CID 18167281
(3-formamidophenyl) N-[(4-methoxyphenyl)methyl]carbamate
CID 88846842

Frequently Asked Questions

What is the IUPAC name of [4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate?
The IUPAC name of [4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate (CID 140752895) is [4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate.
What is the SMILES notation for [4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate?
The canonical SMILES for [4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate is COc1ccc(CNC(=O)Oc2cc(CO)ccn2)cc1.
What is the InChIKey of [4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate?
The InChIKey is RADWXWDLIASOKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c1-20-13-4-2-11(3-5-13)9-17-15(19)21-14-8-12(10-18)6-7-16-14/h2-8,18H,9-10H2,1H3,(H,17,19).
What are the key properties of [4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate?
[4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate has a molecular weight of 288.30 g/mol, XLogP of 1.87, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(hydroxymethyl)-2-pyridinyl] N-[(4-methoxyphenyl)methyl]carbamate is sourced from PubChem (CID 140752895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).