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

C24H26N6O3 — CID 164525707

IUPAC3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESNc1nccc(-c2cnc(NCc3cccc(C(=O)NC[C@@H]4CCCO4)c3)c3c2OCC3)n1
InChIInChI=1S/C24H26N6O3/c25-24-26-8-6-20(30-24)19-14-28-22(18-7-10-33-21(18)19)27-12-15-3-1-4-16(11-15)23(31)29-13-17-5-2-9-32-17/h1,3-4,6,8,11,14,17H,2,5,7,9-10,12-13H2,(H,27,28)(H,29,31)(H2,25,26,30)/t17-/m0/s1
InChIKeyDMJPEPRJDBXNTA-KRWDZBQOSA-N
MW446.51 g/mol
LogP2.58
Rot. Bonds7

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

3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide (PubChem CID 164525707) has the molecular formula C24H26N6O3 and a molecular weight of 446.51 g/mol. Its IUPAC name is 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
PubChem CID164525707
Molecular FormulaC24H26N6O3
Molecular Weight446.51 g/mol
Exact Mass446.21
IUPAC Name3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
SMILESNc1nccc(-c2cnc(NCc3cccc(C(=O)NC[C@@H]4CCCO4)c3)c3c2OCC3)n1
InChIInChI=1S/C24H26N6O3/c25-24-26-8-6-20(30-24)19-14-28-22(18-7-10-33-21(18)19)27-12-15-3-1-4-16(11-15)23(31)29-13-17-5-2-9-32-17/h1,3-4,6,8,11,14,17H,2,5,7,9-10,12-13H2,(H,27,28)(H,29,31)(H2,25,26,30)/t17-/m0/s1
InChIKeyDMJPEPRJDBXNTA-KRWDZBQOSA-N
XLogP2.58
TPSA124.28 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.51
LogP ≤ 52.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-cyclobutylbenzamide
CID 164525696
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
3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-5-fluoro-N-methylbenzamide
CID 164525642
3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-[5-(2-methylpiperazin-1-yl)-2-pyridinyl]benzamide
CID 175462324
3-[[(3-chloro-4-pyridinyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 71861546
3-[[(2-aminoacetyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydrochloride
CID 119305123
methyl 3-[[(7-pyridin-4-yl-2,3-dihydrofuro[3,2-c]pyridin-4-yl)amino]methyl]benzoate
CID 164526399
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-[[(N'-methylcarbamimidoyl)amino]methyl]-N-(oxolan-2-ylmethyl)benzamide;hydroiodide
CID 110918492
3-amino-N-[[3-(oxolan-2-ylmethylcarbamoyl)phenyl]methyl]bicyclo[2.2.1]heptane-2-carboxamide
CID 119751885
3-[(1-cyclobutylethylamino)methyl]-N-(oxolan-2-ylmethyl)benzamide
CID 75382929

Frequently Asked Questions

What is the IUPAC name of 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The IUPAC name of 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) is 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide.
What is the SMILES notation for 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The canonical SMILES for 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is Nc1nccc(-c2cnc(NCc3cccc(C(=O)NC[C@@H]4CCCO4)c3)c3c2OCC3)n1.
What is the InChIKey of 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
The InChIKey is DMJPEPRJDBXNTA-KRWDZBQOSA-N. The full InChI is InChI=1S/C24H26N6O3/c25-24-26-8-6-20(30-24)19-14-28-22(18-7-10-33-21(18)19)27-12-15-3-1-4-16(11-15)23(31)29-13-17-5-2-9-32-17/h1,3-4,6,8,11,14,17H,2,5,7,9-10,12-13H2,(H,27,28)(H,29,31)(H2,25,26,30)/t17-/m0/s1.
What are the key properties of 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide?
3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide has a molecular weight of 446.51 g/mol, XLogP of 2.58, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[7-(2-aminopyrimidin-4-yl)-2,3-dihydrofuro[3,2-c]pyridin-4-yl]amino]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide is sourced from PubChem (CID 164525707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).