N-[2-(furan-2-yl)-2-hydroxypropyl]-4-pyridin-3-yloxybenzamide

C19H18N2O4 — CID 111481964

IUPACN-[2-(furan-2-yl)-2-hydroxypropyl]-4-pyridin-3-yloxybenzamide
SMILESCC(O)(CNC(=O)c1ccc(Oc2cccnc2)cc1)c1ccco1
InChIInChI=1S/C19H18N2O4/c1-19(23,17-5-3-11-24-17)13-21-18(22)14-6-8-15(9-7-14)25-16-4-2-10-20-12-16/h2-12,23H,13H2,1H3,(H,21,22)
InChIKeyHMVCRIIKENEWCK-UHFFFAOYSA-N
MW338.36 g/mol
LogP3.10
Rot. Bonds6

About N-[2-(furan-2-yl)-2-hydroxypropyl]-4-pyridin-3-yloxybenzamide

N-[2-(furan-2-yl)-2-hydroxypropyl]-4-pyridin-3-yloxybenzamide (PubChem CID 111481964) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-2-hydroxypropyl]-4-pyridin-3-yloxybenzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-2-hydroxypropyl]-4-pyridin-3-yloxybenzamide
PubChem CID111481964
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[2-(furan-2-yl)-2-hydroxypropyl]-4-pyridin-3-yloxybenzamide
SMILESCC(O)(CNC(=O)c1ccc(Oc2cccnc2)cc1)c1ccco1
InChIInChI=1S/C19H18N2O4/c1-19(23,17-5-3-11-24-17)13-21-18(22)14-6-8-15(9-7-14)25-16-4-2-10-20-12-16/h2-12,23H,13H2,1H3,(H,21,22)
InChIKeyHMVCRIIKENEWCK-UHFFFAOYSA-N
XLogP3.10
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(furan-2-yl)-2-hydroxypropyl]benzamide
CID 111482452
N-[(2S)-2-(furan-2-yl)-2-hydroxypropyl]-4-phenylbenzamide
CID 95983664
N-[2-(furan-2-yl)-2-hydroxypropyl]pyrazine-2-carboxamide
CID 111481899
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-pyridin-3-ylurea
CID 111473834
3-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111519619
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-nitrobenzamide
CID 111482013
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-(imidazol-1-ylmethyl)benzamide
CID 111482745
2-chloro-N-[2-(furan-2-yl)-2-hydroxypropyl]pyridine-4-carboxamide
CID 111482264
N-[2-cyclopropyl-2-(furan-2-yl)-2-hydroxyethyl]-4-phenoxybenzamide
CID 121085486
N-[2-(furan-2-yl)-2-hydroxypropyl]-1,2-oxazole-5-carboxamide
CID 121085807
N-[2-(furan-2-yl)-2-hydroxypropyl]thiophene-3-carboxamide
CID 71782534
N-[2-(furan-2-yl)-2-methylpropyl]pyrimidine-5-carboxamide
CID 110466865

Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-4-pyridin-3-yloxybenzamide?
The IUPAC name of N-[2-(furan-2-yl)-2-hydroxypropyl]-4-pyridin-3-yloxybenzamide (CID 111481964) is N-[2-(furan-2-yl)-2-hydroxypropyl]-4-pyridin-3-yloxybenzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-2-hydroxypropyl]-4-pyridin-3-yloxybenzamide?
The canonical SMILES for N-[2-(furan-2-yl)-2-hydroxypropyl]-4-pyridin-3-yloxybenzamide is CC(O)(CNC(=O)c1ccc(Oc2cccnc2)cc1)c1ccco1.
What is the InChIKey of N-[2-(furan-2-yl)-2-hydroxypropyl]-4-pyridin-3-yloxybenzamide?
The InChIKey is HMVCRIIKENEWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c1-19(23,17-5-3-11-24-17)13-21-18(22)14-6-8-15(9-7-14)25-16-4-2-10-20-12-16/h2-12,23H,13H2,1H3,(H,21,22).
What are the key properties of N-[2-(furan-2-yl)-2-hydroxypropyl]-4-pyridin-3-yloxybenzamide?
N-[2-(furan-2-yl)-2-hydroxypropyl]-4-pyridin-3-yloxybenzamide has a molecular weight of 338.36 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-2-hydroxypropyl]-4-pyridin-3-yloxybenzamide is sourced from PubChem (CID 111481964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).