1-(hydroxymethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide

C11H14N2O2 — CID 115183955

IUPAC1-(hydroxymethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
SMILESO=C(Nc1ccncc1)C1(CO)CCC1
InChIInChI=1S/C11H14N2O2/c14-8-11(4-1-5-11)10(15)13-9-2-6-12-7-3-9/h2-3,6-7,14H,1,4-5,8H2,(H,12,13,15)
InChIKeyJUJBQDWSRLDVSF-UHFFFAOYSA-N
MW206.25 g/mol
LogP1.18
Rot. Bonds3

About 1-(hydroxymethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide

1-(hydroxymethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide (PubChem CID 115183955) has the molecular formula C11H14N2O2 and a molecular weight of 206.25 g/mol. Its IUPAC name is 1-(hydroxymethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide.

Molecular Properties

Compound Name1-(hydroxymethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
PubChem CID115183955
Molecular FormulaC11H14N2O2
Molecular Weight206.25 g/mol
Exact Mass206.11
IUPAC Name1-(hydroxymethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide
SMILESO=C(Nc1ccncc1)C1(CO)CCC1
InChIInChI=1S/C11H14N2O2/c14-8-11(4-1-5-11)10(15)13-9-2-6-12-7-3-9/h2-3,6-7,14H,1,4-5,8H2,(H,12,13,15)
InChIKeyJUJBQDWSRLDVSF-UHFFFAOYSA-N
XLogP1.18
TPSA62.22 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.25
LogP ≤ 51.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(hydroxymethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide?
The IUPAC name of 1-(hydroxymethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide (CID 115183955) is 1-(hydroxymethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide.
What is the SMILES notation for 1-(hydroxymethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide?
The canonical SMILES for 1-(hydroxymethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide is O=C(Nc1ccncc1)C1(CO)CCC1.
What is the InChIKey of 1-(hydroxymethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide?
The InChIKey is JUJBQDWSRLDVSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c14-8-11(4-1-5-11)10(15)13-9-2-6-12-7-3-9/h2-3,6-7,14H,1,4-5,8H2,(H,12,13,15).
What are the key properties of 1-(hydroxymethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide?
1-(hydroxymethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide has a molecular weight of 206.25 g/mol, XLogP of 1.18, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(hydroxymethyl)-N-pyridin-4-ylcyclobutane-1-carboxamide is sourced from PubChem (CID 115183955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).