N-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide

C20H24N2O3 — CID 111433205

IUPACN-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide
SMILESO=C(NCC1(O)CCCCCC1)c1cccc(Oc2ccncc2)c1
InChIInChI=1S/C20H24N2O3/c23-19(22-15-20(24)10-3-1-2-4-11-20)16-6-5-7-18(14-16)25-17-8-12-21-13-9-17/h5-9,12-14,24H,1-4,10-11,15H2,(H,22,23)
InChIKeyXVINONTUKNFMIM-UHFFFAOYSA-N
MW340.42 g/mol
LogP3.69
Rot. Bonds5

About N-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide

N-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide (PubChem CID 111433205) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is N-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide.

Molecular Properties

Compound NameN-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide
PubChem CID111433205
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC NameN-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide
SMILESO=C(NCC1(O)CCCCCC1)c1cccc(Oc2ccncc2)c1
InChIInChI=1S/C20H24N2O3/c23-19(22-15-20(24)10-3-1-2-4-11-20)16-6-5-7-18(14-16)25-17-8-12-21-13-9-17/h5-9,12-14,24H,1-4,10-11,15H2,(H,22,23)
InChIKeyXVINONTUKNFMIM-UHFFFAOYSA-N
XLogP3.69
TPSA71.45 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide?
The IUPAC name of N-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide (CID 111433205) is N-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide.
What is the SMILES notation for N-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide?
The canonical SMILES for N-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide is O=C(NCC1(O)CCCCCC1)c1cccc(Oc2ccncc2)c1.
What is the InChIKey of N-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide?
The InChIKey is XVINONTUKNFMIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N2O3/c23-19(22-15-20(24)10-3-1-2-4-11-20)16-6-5-7-18(14-16)25-17-8-12-21-13-9-17/h5-9,12-14,24H,1-4,10-11,15H2,(H,22,23).
What are the key properties of N-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide?
N-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide has a molecular weight of 340.42 g/mol, XLogP of 3.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxycycloheptyl)methyl]-3-pyridin-4-yloxybenzamide is sourced from PubChem (CID 111433205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).