N-[3-(ethylcarbamoylamino)phenyl]-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidine-3-carboxamide

C15H15N7O3 — CID 167843397

IUPACN-[3-(ethylcarbamoylamino)phenyl]-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidine-3-carboxamide
SMILESCCNC(=O)Nc1cccc(NC(=O)c2[nH]nc3nc[nH]c(=O)c23)c1
InChIInChI=1S/C15H15N7O3/c1-2-16-15(25)20-9-5-3-4-8(6-9)19-14(24)11-10-12(22-21-11)17-7-18-13(10)23/h3-7H,2H2,1H3,(H,19,24)(H2,16,20,25)(H2,17,18,21,22,23)
InChIKeyOODFMJWCYDTKCL-UHFFFAOYSA-N
MW341.33 g/mol
LogP1.04
Rot. Bonds4

About N-[3-(ethylcarbamoylamino)phenyl]-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidine-3-carboxamide

N-[3-(ethylcarbamoylamino)phenyl]-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidine-3-carboxamide (PubChem CID 167843397) has the molecular formula C15H15N7O3 and a molecular weight of 341.33 g/mol. Its IUPAC name is N-[3-(ethylcarbamoylamino)phenyl]-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(ethylcarbamoylamino)phenyl]-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidine-3-carboxamide
PubChem CID167843397
Molecular FormulaC15H15N7O3
Molecular Weight341.33 g/mol
Exact Mass341.12
IUPAC NameN-[3-(ethylcarbamoylamino)phenyl]-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidine-3-carboxamide
SMILESCCNC(=O)Nc1cccc(NC(=O)c2[nH]nc3nc[nH]c(=O)c23)c1
InChIInChI=1S/C15H15N7O3/c1-2-16-15(25)20-9-5-3-4-8(6-9)19-14(24)11-10-12(22-21-11)17-7-18-13(10)23/h3-7H,2H2,1H3,(H,19,24)(H2,16,20,25)(H2,17,18,21,22,23)
InChIKeyOODFMJWCYDTKCL-UHFFFAOYSA-N
XLogP1.04
TPSA144.66 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.33
LogP ≤ 51.04
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]-2H-pyrazolo[3,4-b]pyridine-3-carboxamide
CID 166366395
N-[3-[(3-amino-3-oxopropyl)carbamoylamino]phenyl]-5-bromo-6-oxo-1H-pyrimidine-4-carboxamide
CID 167803039
1-ethyl-3-[3-(propan-2-ylcarbamoylamino)phenyl]urea
CID 47202672
N-(3-benzamidophenyl)-6-methyl-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 55869447
6-methyl-N-(3-methylphenyl)-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 36676708
6-methyl-N-[[3-[(3-methylphenyl)carbamoylamino]phenyl]methyl]-4-oxo-3H-furo[2,3-d]pyrimidine-5-carboxamide
CID 55958179
1-amino-N-[3-(ethylcarbamoylamino)phenyl]cyclopropane-1-carboxamide;hydrochloride
CID 119755854
1-[3-(6,6-dimethyl-1,4,5,7-tetrahydroindazol-3-yl)phenyl]-3-ethylurea
CID 144999837
4-oxo-N-[3-(1,2,4-triazol-4-ylmethyl)phenyl]-3,7-dihydropyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 166366447
1-(2-bromo-4-pyridinyl)-3-ethylurea
CID 130673791
1-ethyl-3-[3-[5-(1H-1,2,4-triazol-5-yl)-1H-indazol-3-yl]phenyl]urea
CID 11187101
1-ethyl-3-[3-[(E)-N-hydroxy-C-methylcarbonimidoyl]phenyl]urea
CID 13119872

Frequently Asked Questions

What is the IUPAC name of N-[3-(ethylcarbamoylamino)phenyl]-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidine-3-carboxamide?
The IUPAC name of N-[3-(ethylcarbamoylamino)phenyl]-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidine-3-carboxamide (CID 167843397) is N-[3-(ethylcarbamoylamino)phenyl]-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidine-3-carboxamide.
What is the SMILES notation for N-[3-(ethylcarbamoylamino)phenyl]-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidine-3-carboxamide?
The canonical SMILES for N-[3-(ethylcarbamoylamino)phenyl]-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidine-3-carboxamide is CCNC(=O)Nc1cccc(NC(=O)c2[nH]nc3nc[nH]c(=O)c23)c1.
What is the InChIKey of N-[3-(ethylcarbamoylamino)phenyl]-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidine-3-carboxamide?
The InChIKey is OODFMJWCYDTKCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N7O3/c1-2-16-15(25)20-9-5-3-4-8(6-9)19-14(24)11-10-12(22-21-11)17-7-18-13(10)23/h3-7H,2H2,1H3,(H,19,24)(H2,16,20,25)(H2,17,18,21,22,23).
What are the key properties of N-[3-(ethylcarbamoylamino)phenyl]-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidine-3-carboxamide?
N-[3-(ethylcarbamoylamino)phenyl]-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidine-3-carboxamide has a molecular weight of 341.33 g/mol, XLogP of 1.04, 4 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(ethylcarbamoylamino)phenyl]-4-oxo-2,5-dihydropyrazolo[3,4-d]pyrimidine-3-carboxamide is sourced from PubChem (CID 167843397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).