2-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)cyclopentane-1-carboxamide

C14H16N4O3 — CID 64817942

IUPAC2-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)cyclopentane-1-carboxamide
SMILESNC1CCCC1C(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C14H16N4O3/c15-9-5-1-3-7(9)12(19)16-10-6-2-4-8-11(10)14(21)18-17-13(8)20/h2,4,6-7,9H,1,3,5,15H2,(H,16,19)(H,17,20)(H,18,21)
InChIKeyVKYNNHJCOBZKOB-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.28
Rot. Bonds2

About 2-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)cyclopentane-1-carboxamide

2-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)cyclopentane-1-carboxamide (PubChem CID 64817942) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 2-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)cyclopentane-1-carboxamide.

Molecular Properties

Compound Name2-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)cyclopentane-1-carboxamide
PubChem CID64817942
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name2-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)cyclopentane-1-carboxamide
SMILESNC1CCCC1C(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12
InChIInChI=1S/C14H16N4O3/c15-9-5-1-3-7(9)12(19)16-10-6-2-4-8-11(10)14(21)18-17-13(8)20/h2,4,6-7,9H,1,3,5,15H2,(H,16,19)(H,17,20)(H,18,21)
InChIKeyVKYNNHJCOBZKOB-UHFFFAOYSA-N
XLogP0.28
TPSA120.84 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.28
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(2-methylphenyl)cyclopentane-1-carboxamide
CID 64818336
2-amino-N-(2-hydroxyphenyl)cyclopentane-1-carboxamide
CID 64852235
2-amino-N-(2-iodophenyl)cyclopentane-1-carboxamide
CID 64824088
2-amino-N-quinolin-5-ylcyclohexane-1-carboxamide
CID 64817918
2-[(2-aminocyclopentanecarbonyl)amino]-6-methylbenzoic acid
CID 64851456
2-amino-N-(3-bromo-2-hydroxyphenyl)cycloheptane-1-carboxamide
CID 81496913
2-amino-N-(2-methyl-3-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 64823773
2-amino-N-(2-chloro-3-pyridinyl)cyclohexane-1-carboxamide
CID 64822363
cis-(1S,2R)-2-amino-N-(2,3-dimethylindazol-7-yl)cyclohexane-1-carboxamide
CID 172895408
2-amino-N-[2-(trifluoromethyl)phenyl]cyclohexane-1-carboxamide
CID 64817726
2-amino-N-(2-methylquinolin-4-yl)cyclopentane-1-carboxamide
CID 64817916
2-(1-aminocyclobutyl)-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)acetamide
CID 79842932

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)cyclopentane-1-carboxamide?
The IUPAC name of 2-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)cyclopentane-1-carboxamide (CID 64817942) is 2-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)cyclopentane-1-carboxamide.
What is the SMILES notation for 2-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)cyclopentane-1-carboxamide?
The canonical SMILES for 2-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)cyclopentane-1-carboxamide is NC1CCCC1C(=O)Nc1cccc2c(=O)[nH][nH]c(=O)c12.
What is the InChIKey of 2-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)cyclopentane-1-carboxamide?
The InChIKey is VKYNNHJCOBZKOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c15-9-5-1-3-7(9)12(19)16-10-6-2-4-8-11(10)14(21)18-17-13(8)20/h2,4,6-7,9H,1,3,5,15H2,(H,16,19)(H,17,20)(H,18,21).
What are the key properties of 2-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)cyclopentane-1-carboxamide?
2-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)cyclopentane-1-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.28, 2 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(1,4-dioxo-2,3-dihydrophthalazin-5-yl)cyclopentane-1-carboxamide is sourced from PubChem (CID 64817942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).