N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide

C19H19N5O2 — CID 131902037

IUPACN-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCc1nc(CCNC(=O)c2n[nH]c(=O)c3ccccc23)nc2c1CCC2
InChIInChI=1S/C19H19N5O2/c1-11-12-7-4-8-15(12)22-16(21-11)9-10-20-19(26)17-13-5-2-3-6-14(13)18(25)24-23-17/h2-3,5-6H,4,7-10H2,1H3,(H,20,26)(H,24,25)
InChIKeyHLXHTFZXNWKFHB-UHFFFAOYSA-N
MW349.39 g/mol
LogP1.48
Rot. Bonds4

About N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide

N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide (PubChem CID 131902037) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
PubChem CID131902037
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC NameN-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
SMILESCc1nc(CCNC(=O)c2n[nH]c(=O)c3ccccc23)nc2c1CCC2
InChIInChI=1S/C19H19N5O2/c1-11-12-7-4-8-15(12)22-16(21-11)9-10-20-19(26)17-13-5-2-3-6-14(13)18(25)24-23-17/h2-3,5-6H,4,7-10H2,1H3,(H,20,26)(H,24,25)
InChIKeyHLXHTFZXNWKFHB-UHFFFAOYSA-N
XLogP1.48
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-ethyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-6-oxo-1H-pyridine-3-carboxamide
CID 156584807
N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-3-(1,2,4-triazol-4-yl)-1H-1,2,4-triazole-5-carboxamide
CID 156586379
(1R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3-phenylcycloprop-2-ene-1-carboxamide
CID 124755594
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-(3-methyl-1,2-oxazol-5-yl)acetamide
CID 91772314
N-[2-(2-fluorophenyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 27847901
5-ethyl-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]-1,3-oxazole-4-carboxamide
CID 29028743
N-[2-(1-cyclobutyl-5-methylimidazol-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 91911669
(3R)-2-methyl-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 97195964
2-(2,3-dihydro-1H-inden-2-yl)-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]acetamide
CID 91834323
N-[2-(methylsulfamoyl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide
CID 102685137
6-fluoro-N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-2-oxo-3,4-dihydro-1H-quinoline-4-carboxamide
CID 70735481
5-ethoxy-N-[2-(4-methyl-5,6,7,8-tetrahydroquinazolin-2-yl)ethyl]furan-2-carboxamide
CID 91783712

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The IUPAC name of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide (CID 131902037) is N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide.
What is the SMILES notation for N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The canonical SMILES for N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide is Cc1nc(CCNC(=O)c2n[nH]c(=O)c3ccccc23)nc2c1CCC2.
What is the InChIKey of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide?
The InChIKey is HLXHTFZXNWKFHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-11-12-7-4-8-15(12)22-16(21-11)9-10-20-19(26)17-13-5-2-3-6-14(13)18(25)24-23-17/h2-3,5-6H,4,7-10H2,1H3,(H,20,26)(H,24,25).
What are the key properties of N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide?
N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-2-yl)ethyl]-4-oxo-3H-phthalazine-1-carboxamide is sourced from PubChem (CID 131902037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).