N-[3-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylcarbamoyl]phenyl]furan-2-carboxamide

C20H19N7O3 — CID 86974971

IUPACN-[3-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCc1cc(NCCNC(=O)c2cccc(NC(=O)c3ccco3)c2)n2ncnc2n1
InChIInChI=1S/C20H19N7O3/c1-13-10-17(27-20(25-13)23-12-24-27)21-7-8-22-18(28)14-4-2-5-15(11-14)26-19(29)16-6-3-9-30-16/h2-6,9-12,21H,7-8H2,1H3,(H,22,28)(H,26,29)
InChIKeyHLNAFEJEUJBWIK-UHFFFAOYSA-N
MW405.42 g/mol
LogP2.12
Rot. Bonds7

About N-[3-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylcarbamoyl]phenyl]furan-2-carboxamide

N-[3-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylcarbamoyl]phenyl]furan-2-carboxamide (PubChem CID 86974971) has the molecular formula C20H19N7O3 and a molecular weight of 405.42 g/mol. Its IUPAC name is N-[3-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylcarbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylcarbamoyl]phenyl]furan-2-carboxamide
PubChem CID86974971
Molecular FormulaC20H19N7O3
Molecular Weight405.42 g/mol
Exact Mass405.15
IUPAC NameN-[3-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylcarbamoyl]phenyl]furan-2-carboxamide
SMILESCc1cc(NCCNC(=O)c2cccc(NC(=O)c3ccco3)c2)n2ncnc2n1
InChIInChI=1S/C20H19N7O3/c1-13-10-17(27-20(25-13)23-12-24-27)21-7-8-22-18(28)14-4-2-5-15(11-14)26-19(29)16-6-3-9-30-16/h2-6,9-12,21H,7-8H2,1H3,(H,22,28)(H,26,29)
InChIKeyHLNAFEJEUJBWIK-UHFFFAOYSA-N
XLogP2.12
TPSA126.45 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.42
LogP ≤ 52.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

N-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethyl]furan-2-carboxamide
CID 31661006
N-[3-[2-(2-methylphenoxy)ethylcarbamoyl]phenyl]furan-2-carboxamide
CID 55907187
N-[3-[(2-methyl-1,3-thiazol-5-yl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 86836025
N-[3-(2-hydroxypropylcarbamoyl)phenyl]furan-2-carboxamide
CID 78897732
N-[3-[[2-[3-(3-methoxypropylcarbamoyl)anilino]-2-oxoethyl]amino]phenyl]furan-2-carboxamide
CID 54843328
N-[3-[(3-ethoxyphenyl)methylcarbamoyl]phenyl]furan-2-carboxamide
CID 55844290
N-[3-[(3-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 27244358
N-[3-(pyridin-2-ylmethylcarbamoyl)phenyl]furan-2-carboxamide
CID 17297031
N-[3-[(4-acetamidophenyl)carbamoyl]phenyl]furan-2-carboxamide
CID 51179863
N-[3-[[2-(3-bromophenyl)-5-methylpyrazol-3-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 55873667
N-[3-[4-(4-methylpiperidin-1-yl)butylcarbamoyl]phenyl]furan-2-carboxamide
CID 55847878
5,7-dimethyl-N-[3-(propylcarbamoyl)phenyl]-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 46485618

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylcarbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[3-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylcarbamoyl]phenyl]furan-2-carboxamide (CID 86974971) is N-[3-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylcarbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylcarbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylcarbamoyl]phenyl]furan-2-carboxamide is Cc1cc(NCCNC(=O)c2cccc(NC(=O)c3ccco3)c2)n2ncnc2n1.
What is the InChIKey of N-[3-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylcarbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is HLNAFEJEUJBWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O3/c1-13-10-17(27-20(25-13)23-12-24-27)21-7-8-22-18(28)14-4-2-5-15(11-14)26-19(29)16-6-3-9-30-16/h2-6,9-12,21H,7-8H2,1H3,(H,22,28)(H,26,29).
What are the key properties of N-[3-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylcarbamoyl]phenyl]furan-2-carboxamide?
N-[3-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylcarbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 405.42 g/mol, XLogP of 2.12, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-[(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)amino]ethylcarbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 86974971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).