N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide

C25H22N4O2 — CID 119074367

IUPACN-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCc1cnc2c(c1)CCC2
InChIInChI=1S/C25H22N4O2/c30-23(27-15-17-13-19-9-6-12-22(19)26-14-17)16-29-25(31)21-11-5-4-10-20(21)24(28-29)18-7-2-1-3-8-18/h1-5,7-8,10-11,13-14H,6,9,12,15-16H2,(H,27,30)
InChIKeyVUDVEWPQWFLFLJ-UHFFFAOYSA-N
MW410.48 g/mol
LogP3.26
Rot. Bonds5

About N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide

N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide (PubChem CID 119074367) has the molecular formula C25H22N4O2 and a molecular weight of 410.48 g/mol. Its IUPAC name is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide.

Molecular Properties

Compound NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
PubChem CID119074367
Molecular FormulaC25H22N4O2
Molecular Weight410.48 g/mol
Exact Mass410.17
IUPAC NameN-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
SMILESO=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCc1cnc2c(c1)CCC2
InChIInChI=1S/C25H22N4O2/c30-23(27-15-17-13-19-9-6-12-22(19)26-14-17)16-29-25(31)21-11-5-4-10-20(21)24(28-29)18-7-2-1-3-8-18/h1-5,7-8,10-11,13-14H,6,9,12,15-16H2,(H,27,30)
InChIKeyVUDVEWPQWFLFLJ-UHFFFAOYSA-N
XLogP3.26
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(imidazo[1,2-a]pyrazin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide
CID 119066424
2-(1-oxo-4-phenylphthalazin-2-yl)acetate
CID 4052053
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(4-oxoquinazolin-3-yl)propanamide
CID 119059514
N-benzyl-2-(4-methoxy-6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 71830901
2-[2-oxo-2-(1,4,6,7-tetrahydropyrazolo[4,5-c]pyridin-5-yl)ethyl]-4-phenylphthalazin-1-one
CID 70758898
N,N-diethyl-4-[[2-(1-oxo-4-phenylphthalazin-2-yl)acetyl]amino]benzamide
CID 1080064
2-(1-oxo-4-phenylphthalazin-2-yl)-N-[(7-pyrazin-2-yl-2,3-dihydro-1-benzofuran-2-yl)methyl]acetamide
CID 45246052
N-[(2-chlorophenyl)methyl]-2-(3-oxo-6,7,8,9-tetrahydro-5H-cyclohepta[c]pyridazin-2-yl)acetamide
CID 52900423
N-(6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-ylmethyl)-2-(4-ethyl-5-oxo-3-phenyl-1,2,4-triazol-1-yl)acetamide
CID 70788318
N-[(4-fluorophenyl)methyl]-2-(3-phenylindazol-1-yl)acetamide
CID 3441862
(2R)-2-[[2-(3-oxo-5,6,7,8-tetrahydrocinnolin-2-yl)acetyl]amino]-3-phenylpropanoic acid
CID 95395726
N-benzyl-3-[4-(4-chlorophenyl)-1-oxophthalazin-2-yl]propanamide
CID 1287300

Frequently Asked Questions

What is the IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The IUPAC name of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide (CID 119074367) is N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide.
What is the SMILES notation for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The canonical SMILES for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide is O=C(Cn1nc(-c2ccccc2)c2ccccc2c1=O)NCc1cnc2c(c1)CCC2.
What is the InChIKey of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
The InChIKey is VUDVEWPQWFLFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N4O2/c30-23(27-15-17-13-19-9-6-12-22(19)26-14-17)16-29-25(31)21-11-5-4-10-20(21)24(28-29)18-7-2-1-3-8-18/h1-5,7-8,10-11,13-14H,6,9,12,15-16H2,(H,27,30).
What are the key properties of N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide?
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide has a molecular weight of 410.48 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-(1-oxo-4-phenylphthalazin-2-yl)acetamide is sourced from PubChem (CID 119074367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).