N-[1-(furan-2-yl)-2-hydroxyethyl]-2-(pyridin-3-ylmethylamino)benzamide

C19H19N3O3 — CID 110004108

IUPACN-[1-(furan-2-yl)-2-hydroxyethyl]-2-(pyridin-3-ylmethylamino)benzamide
SMILESO=C(NC(CO)c1ccco1)c1ccccc1NCc1cccnc1
InChIInChI=1S/C19H19N3O3/c23-13-17(18-8-4-10-25-18)22-19(24)15-6-1-2-7-16(15)21-12-14-5-3-9-20-11-14/h1-11,17,21,23H,12-13H2,(H,22,24)
InChIKeyILXSIJZDXFLECZ-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.75
Rot. Bonds7

About N-[1-(furan-2-yl)-2-hydroxyethyl]-2-(pyridin-3-ylmethylamino)benzamide

N-[1-(furan-2-yl)-2-hydroxyethyl]-2-(pyridin-3-ylmethylamino)benzamide (PubChem CID 110004108) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is N-[1-(furan-2-yl)-2-hydroxyethyl]-2-(pyridin-3-ylmethylamino)benzamide.

Molecular Properties

Compound NameN-[1-(furan-2-yl)-2-hydroxyethyl]-2-(pyridin-3-ylmethylamino)benzamide
PubChem CID110004108
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC NameN-[1-(furan-2-yl)-2-hydroxyethyl]-2-(pyridin-3-ylmethylamino)benzamide
SMILESO=C(NC(CO)c1ccco1)c1ccccc1NCc1cccnc1
InChIInChI=1S/C19H19N3O3/c23-13-17(18-8-4-10-25-18)22-19(24)15-6-1-2-7-16(15)21-12-14-5-3-9-20-11-14/h1-11,17,21,23H,12-13H2,(H,22,24)
InChIKeyILXSIJZDXFLECZ-UHFFFAOYSA-N
XLogP2.75
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-(pyridin-3-ylmethylamino)benzoic acid;dihydrochloride
CID 17059960
N-phenylmethoxy-2-(pyridin-3-ylmethylamino)benzamide
CID 87281732
N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]furan-2-carboxamide
CID 113027750
1-(furan-2-yl)-N-(pyridin-3-ylmethyl)propan-1-amine
CID 62633957
[2-(pyridin-3-ylmethylamino)phenyl]methanol
CID 43743160
2-(ethylamino)-N-[1-(furan-2-yl)ethyl]benzamide
CID 62169362
2-(benzylamino)-N-propan-2-ylbenzamide
CID 110486900
6-(furan-2-yl)-N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyridine-3-carboxamide
CID 126473939
2-(furan-2-ylmethylamino)-N-[(2R)-1-hydroxypent-4-en-2-yl]benzamide
CID 124842453
2-(furan-2-ylmethylamino)-N-(1-hydroxypent-4-en-2-yl)benzamide
CID 119051228
N-[(1S)-1-(furan-2-yl)ethyl]-2-(methylamino)benzamide
CID 81399463
1-(furan-2-yl)-N-methyl-2-pyridin-3-ylethanamine
CID 63949985

Frequently Asked Questions

What is the IUPAC name of N-[1-(furan-2-yl)-2-hydroxyethyl]-2-(pyridin-3-ylmethylamino)benzamide?
The IUPAC name of N-[1-(furan-2-yl)-2-hydroxyethyl]-2-(pyridin-3-ylmethylamino)benzamide (CID 110004108) is N-[1-(furan-2-yl)-2-hydroxyethyl]-2-(pyridin-3-ylmethylamino)benzamide.
What is the SMILES notation for N-[1-(furan-2-yl)-2-hydroxyethyl]-2-(pyridin-3-ylmethylamino)benzamide?
The canonical SMILES for N-[1-(furan-2-yl)-2-hydroxyethyl]-2-(pyridin-3-ylmethylamino)benzamide is O=C(NC(CO)c1ccco1)c1ccccc1NCc1cccnc1.
What is the InChIKey of N-[1-(furan-2-yl)-2-hydroxyethyl]-2-(pyridin-3-ylmethylamino)benzamide?
The InChIKey is ILXSIJZDXFLECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-13-17(18-8-4-10-25-18)22-19(24)15-6-1-2-7-16(15)21-12-14-5-3-9-20-11-14/h1-11,17,21,23H,12-13H2,(H,22,24).
What are the key properties of N-[1-(furan-2-yl)-2-hydroxyethyl]-2-(pyridin-3-ylmethylamino)benzamide?
N-[1-(furan-2-yl)-2-hydroxyethyl]-2-(pyridin-3-ylmethylamino)benzamide has a molecular weight of 337.38 g/mol, XLogP of 2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(furan-2-yl)-2-hydroxyethyl]-2-(pyridin-3-ylmethylamino)benzamide is sourced from PubChem (CID 110004108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).