N-(3-fluoropropyl)-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide

C23H23FN4O2 — CID 164526335

IUPACN-(3-fluoropropyl)-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide
SMILESO=C(NCCCF)c1cccc(CNc2ncc(-c3ccncc3)c3c2CCO3)c1
InChIInChI=1S/C23H23FN4O2/c24-8-2-9-26-23(29)18-4-1-3-16(13-18)14-27-22-19-7-12-30-21(19)20(15-28-22)17-5-10-25-11-6-17/h1,3-6,10-11,13,15H,2,7-9,12,14H2,(H,26,29)(H,27,28)
InChIKeyUCLYKSMQQAEFNZ-UHFFFAOYSA-N
MW406.46 g/mol
LogP3.78
Rot. Bonds8

About N-(3-fluoropropyl)-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide

N-(3-fluoropropyl)-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide (PubChem CID 164526335) has the molecular formula C23H23FN4O2 and a molecular weight of 406.46 g/mol. Its IUPAC name is N-(3-fluoropropyl)-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-(3-fluoropropyl)-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide
PubChem CID164526335
Molecular FormulaC23H23FN4O2
Molecular Weight406.46 g/mol
Exact Mass406.18
IUPAC NameN-(3-fluoropropyl)-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide
SMILESO=C(NCCCF)c1cccc(CNc2ncc(-c3ccncc3)c3c2CCO3)c1
InChIInChI=1S/C23H23FN4O2/c24-8-2-9-26-23(29)18-4-1-3-16(13-18)14-27-22-19-7-12-30-21(19)20(15-28-22)17-5-10-25-11-6-17/h1,3-6,10-11,13,15H,2,7-9,12,14H2,(H,26,29)(H,27,28)
InChIKeyUCLYKSMQQAEFNZ-UHFFFAOYSA-N
XLogP3.78
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.46
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

methyl 3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzoate
CID 164526399
N-[(4-methylmorpholin-2-yl)methyl]-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide
CID 164526355
N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 164526321
1-methyl-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indazole-5-carboxamide
CID 169091479
3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 164525739
N-methyl-3-[[[7-(1,3-thiazol-5-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide
CID 164526471
N-[(1-methylimidazol-4-yl)methyl]-3-[[[7-(1H-pyrazol-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]benzamide
CID 164526467
3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-cyclobutylbenzamide
CID 164525696
1-[2-(dimethylamino)ethyl]-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]indole-5-carboxamide
CID 169091496
5-ethyl-4-(3-methylbutyl)-N-[3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]phenyl]-1,3-thiazole-2-carboxamide
CID 164526310
3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 164525707
5-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-2-fluoro-N-(3-methoxypropyl)benzamide
CID 164525682

Frequently Asked Questions

What is the IUPAC name of N-(3-fluoropropyl)-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide?
The IUPAC name of N-(3-fluoropropyl)-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide (CID 164526335) is N-(3-fluoropropyl)-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide.
What is the SMILES notation for N-(3-fluoropropyl)-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide?
The canonical SMILES for N-(3-fluoropropyl)-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide is O=C(NCCCF)c1cccc(CNc2ncc(-c3ccncc3)c3c2CCO3)c1.
What is the InChIKey of N-(3-fluoropropyl)-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide?
The InChIKey is UCLYKSMQQAEFNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN4O2/c24-8-2-9-26-23(29)18-4-1-3-16(13-18)14-27-22-19-7-12-30-21(19)20(15-28-22)17-5-10-25-11-6-17/h1,3-6,10-11,13,15H,2,7-9,12,14H2,(H,26,29)(H,27,28).
What are the key properties of N-(3-fluoropropyl)-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide?
N-(3-fluoropropyl)-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide has a molecular weight of 406.46 g/mol, XLogP of 3.78, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluoropropyl)-3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzamide is sourced from PubChem (CID 164526335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).