N-ethyl-2-[3-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenoxy]acetamide

C23H25N5O2 — CID 166209023

IUPACN-ethyl-2-[3-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenoxy]acetamide
SMILESCCNC(=O)COc1cccc(CNc2nc(-c3ccccn3)nc3c2CCC3)c1
InChIInChI=1S/C23H25N5O2/c1-2-24-21(29)15-30-17-8-5-7-16(13-17)14-26-22-18-9-6-11-19(18)27-23(28-22)20-10-3-4-12-25-20/h3-5,7-8,10,12-13H,2,6,9,11,14-15H2,1H3,(H,24,29)(H,26,27,28)
InChIKeyGXPMGLDMJXAEHJ-UHFFFAOYSA-N
MW403.49 g/mol
LogP3.15
Rot. Bonds8

About N-ethyl-2-[3-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenoxy]acetamide

N-ethyl-2-[3-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenoxy]acetamide (PubChem CID 166209023) has the molecular formula C23H25N5O2 and a molecular weight of 403.49 g/mol. Its IUPAC name is N-ethyl-2-[3-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenoxy]acetamide.

Molecular Properties

Compound NameN-ethyl-2-[3-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenoxy]acetamide
PubChem CID166209023
Molecular FormulaC23H25N5O2
Molecular Weight403.49 g/mol
Exact Mass403.20
IUPAC NameN-ethyl-2-[3-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenoxy]acetamide
SMILESCCNC(=O)COc1cccc(CNc2nc(-c3ccccn3)nc3c2CCC3)c1
InChIInChI=1S/C23H25N5O2/c1-2-24-21(29)15-30-17-8-5-7-16(13-17)14-26-22-18-9-6-11-19(18)27-23(28-22)20-10-3-4-12-25-20/h3-5,7-8,10,12-13H,2,6,9,11,14-15H2,1H3,(H,24,29)(H,26,27,28)
InChIKeyGXPMGLDMJXAEHJ-UHFFFAOYSA-N
XLogP3.15
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.49
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-ethyl-2-[3-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenoxy]acetamide with MolForge

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Related Compounds

methyl 2-[3-[[(2-methyl-5,6,7,8-tetrahydroquinazolin-4-yl)amino]methyl]phenoxy]acetate
CID 133460829
2-[3-[(tert-butylamino)methyl]phenoxy]-N-ethylacetamide
CID 63057746
2-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 119187254
methyl 2,2,3-trimethyl-3-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butanoate
CID 133350088
N-ethyl-2-[3-[[[N'-methyl-N-(2-pyridin-2-ylethyl)carbamimidoyl]amino]methyl]phenoxy]acetamide;hydroiodide
CID 111192611
1-[2-pyridin-2-yl-4-(pyridin-3-ylmethylamino)-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]ethanone
CID 56867541
1-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]cyclopropane-1-carboxamide
CID 119740364
2-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]-N-[1-(trifluoromethyl)cyclopropyl]acetamide
CID 157030147
2-amino-N-[[3-[2-(ethylamino)-2-oxoethoxy]phenyl]methyl]-2-methylpentanamide;hydrochloride
CID 119740409
2-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]cyclopentan-1-ol
CID 133324076
2-pyridin-2-yl-N-[2-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)ethyl]-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-amine
CID 133415436
2,2-dimethyl-3-phenyl-4-[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]butan-1-ol
CID 133400357

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[3-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenoxy]acetamide?
The IUPAC name of N-ethyl-2-[3-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenoxy]acetamide (CID 166209023) is N-ethyl-2-[3-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenoxy]acetamide.
What is the SMILES notation for N-ethyl-2-[3-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenoxy]acetamide?
The canonical SMILES for N-ethyl-2-[3-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenoxy]acetamide is CCNC(=O)COc1cccc(CNc2nc(-c3ccccn3)nc3c2CCC3)c1.
What is the InChIKey of N-ethyl-2-[3-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenoxy]acetamide?
The InChIKey is GXPMGLDMJXAEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O2/c1-2-24-21(29)15-30-17-8-5-7-16(13-17)14-26-22-18-9-6-11-19(18)27-23(28-22)20-10-3-4-12-25-20/h3-5,7-8,10,12-13H,2,6,9,11,14-15H2,1H3,(H,24,29)(H,26,27,28).
What are the key properties of N-ethyl-2-[3-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenoxy]acetamide?
N-ethyl-2-[3-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenoxy]acetamide has a molecular weight of 403.49 g/mol, XLogP of 3.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[3-[[(2-pyridin-2-yl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)amino]methyl]phenoxy]acetamide is sourced from PubChem (CID 166209023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).