5-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylpyrazolidine-3-carboxamide

C17H18N4O2 — CID 134086325

IUPAC5-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylpyrazolidine-3-carboxamide
SMILESO=C(Nc1cccnc1)C1CC(c2ccc3c(c2)CCO3)NN1
InChIInChI=1S/C17H18N4O2/c22-17(19-13-2-1-6-18-10-13)15-9-14(20-21-15)11-3-4-16-12(8-11)5-7-23-16/h1-4,6,8,10,14-15,20-21H,5,7,9H2,(H,19,22)
InChIKeyDPADXUHRHCETOZ-UHFFFAOYSA-N
MW310.36 g/mol
LogP1.56
Rot. Bonds3

About 5-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylpyrazolidine-3-carboxamide

5-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylpyrazolidine-3-carboxamide (PubChem CID 134086325) has the molecular formula C17H18N4O2 and a molecular weight of 310.36 g/mol. Its IUPAC name is 5-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylpyrazolidine-3-carboxamide
PubChem CID134086325
Molecular FormulaC17H18N4O2
Molecular Weight310.36 g/mol
Exact Mass310.14
IUPAC Name5-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylpyrazolidine-3-carboxamide
SMILESO=C(Nc1cccnc1)C1CC(c2ccc3c(c2)CCO3)NN1
InChIInChI=1S/C17H18N4O2/c22-17(19-13-2-1-6-18-10-13)15-9-14(20-21-15)11-3-4-16-12(8-11)5-7-23-16/h1-4,6,8,10,14-15,20-21H,5,7,9H2,(H,19,22)
InChIKeyDPADXUHRHCETOZ-UHFFFAOYSA-N
XLogP1.56
TPSA75.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 51.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,3-dihydro-1-benzofuran-5-yl)-N-(5-ethyl-1H-1,2,4-triazol-3-yl)pyrazolidine-3-carboxamide
CID 133108811
N-(3,4-dimethylphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
CID 75975474
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylprop-2-enamide
CID 33314257
5-(4-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-yl)pyrazolidine-3-carboxamide
CID 52978372
5-(4-hydroxyphenyl)-N-[2-(pyridin-3-ylamino)ethyl]pyrazolidine-3-carboxamide
CID 134077005
5-(2,3-dihydro-1-benzofuran-5-yl)pyrazolidin-3-amine
CID 76936947
N-(3-chloro-4-methoxyphenyl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
CID 75972765
N,5-bis(3-chlorophenyl)pyrazolidine-3-carboxamide
CID 75254883
N-(3-cyanophenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975429
N-[1-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyridin-3-amine
CID 43756711
N-(3,4-dimethoxyphenyl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 75975396
(2S)-N-pyridin-3-ylpyrrolidine-2-carboxamide
CID 10607737

Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylpyrazolidine-3-carboxamide?
The IUPAC name of 5-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylpyrazolidine-3-carboxamide (CID 134086325) is 5-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylpyrazolidine-3-carboxamide?
The canonical SMILES for 5-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylpyrazolidine-3-carboxamide is O=C(Nc1cccnc1)C1CC(c2ccc3c(c2)CCO3)NN1.
What is the InChIKey of 5-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylpyrazolidine-3-carboxamide?
The InChIKey is DPADXUHRHCETOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2/c22-17(19-13-2-1-6-18-10-13)15-9-14(20-21-15)11-3-4-16-12(8-11)5-7-23-16/h1-4,6,8,10,14-15,20-21H,5,7,9H2,(H,19,22).
What are the key properties of 5-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylpyrazolidine-3-carboxamide?
5-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylpyrazolidine-3-carboxamide has a molecular weight of 310.36 g/mol, XLogP of 1.56, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydro-1-benzofuran-5-yl)-N-pyridin-3-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 134086325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).