N-[2-(phthalazin-1-ylamino)ethyl]cyclopropanecarboxamide

C14H16N4O — CID 115569585

IUPACN-[2-(phthalazin-1-ylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNc1nncc2ccccc12)C1CC1
InChIInChI=1S/C14H16N4O/c19-14(10-5-6-10)16-8-7-15-13-12-4-2-1-3-11(12)9-17-18-13/h1-4,9-10H,5-8H2,(H,15,18)(H,16,19)
InChIKeyARRLKIWEYWXGOJ-UHFFFAOYSA-N
MW256.31 g/mol
LogP1.57
Rot. Bonds5

About N-[2-(phthalazin-1-ylamino)ethyl]cyclopropanecarboxamide

N-[2-(phthalazin-1-ylamino)ethyl]cyclopropanecarboxamide (PubChem CID 115569585) has the molecular formula C14H16N4O and a molecular weight of 256.31 g/mol. Its IUPAC name is N-[2-(phthalazin-1-ylamino)ethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-(phthalazin-1-ylamino)ethyl]cyclopropanecarboxamide
PubChem CID115569585
Molecular FormulaC14H16N4O
Molecular Weight256.31 g/mol
Exact Mass256.13
IUPAC NameN-[2-(phthalazin-1-ylamino)ethyl]cyclopropanecarboxamide
SMILESO=C(NCCNc1nncc2ccccc12)C1CC1
InChIInChI=1S/C14H16N4O/c19-14(10-5-6-10)16-8-7-15-13-12-4-2-1-3-11(12)9-17-18-13/h1-4,9-10H,5-8H2,(H,15,18)(H,16,19)
InChIKeyARRLKIWEYWXGOJ-UHFFFAOYSA-N
XLogP1.57
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.31
LogP ≤ 51.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(phthalazin-1-ylamino)cyclopentane-1-carboxylic acid
CID 66030980
N-[2-[(3-methylquinolin-1-ium-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 7402612
N-[2-[(3-cyanoquinolin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 115657281
N-[2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 103335700
N-[2-[(2-hydroxynaphthalen-1-yl)methylamino]ethyl]cyclopropanecarboxamide
CID 115602923
N-(3-hydroxy-3-naphthalen-1-ylpropyl)cyclopropanecarboxamide
CID 71787907
N-[2-[(3,5-dibromo-2-pyridinyl)amino]ethyl]cyclopropanecarboxamide
CID 113481404
1-N,4-N-bis(isoquinolin-1-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 167988720
2-[1-[(phthalazin-1-ylamino)methyl]cyclopropyl]ethanol
CID 114757162
N-[2-[(3,6,7-trimethylquinolin-2-yl)amino]ethyl]cyclopropanecarboxamide
CID 3206675
2-amino-N-[2-(cyclopropanecarbonylamino)ethyl]benzamide
CID 115747449
N-[2-[3-(cyclopropanecarbonyl)naphthalen-1-yl]ethyl]cyclopropanecarboxamide
CID 19426776

Frequently Asked Questions

What is the IUPAC name of N-[2-(phthalazin-1-ylamino)ethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-(phthalazin-1-ylamino)ethyl]cyclopropanecarboxamide (CID 115569585) is N-[2-(phthalazin-1-ylamino)ethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-(phthalazin-1-ylamino)ethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-(phthalazin-1-ylamino)ethyl]cyclopropanecarboxamide is O=C(NCCNc1nncc2ccccc12)C1CC1.
What is the InChIKey of N-[2-(phthalazin-1-ylamino)ethyl]cyclopropanecarboxamide?
The InChIKey is ARRLKIWEYWXGOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O/c19-14(10-5-6-10)16-8-7-15-13-12-4-2-1-3-11(12)9-17-18-13/h1-4,9-10H,5-8H2,(H,15,18)(H,16,19).
What are the key properties of N-[2-(phthalazin-1-ylamino)ethyl]cyclopropanecarboxamide?
N-[2-(phthalazin-1-ylamino)ethyl]cyclopropanecarboxamide has a molecular weight of 256.31 g/mol, XLogP of 1.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(phthalazin-1-ylamino)ethyl]cyclopropanecarboxamide is sourced from PubChem (CID 115569585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).