N-(1-cyanopyrrolidin-3-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide

C14H18N6O — CID 155803029

IUPACN-(1-cyanopyrrolidin-3-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide
SMILESN#CN1CCC(NC(=O)C2CC(c3ccccn3)NN2)C1
InChIInChI=1S/C14H18N6O/c15-9-20-6-4-10(8-20)17-14(21)13-7-12(18-19-13)11-3-1-2-5-16-11/h1-3,5,10,12-13,18-19H,4,6-8H2,(H,17,21)
InChIKeyZCOJXWNFXQIRKH-UHFFFAOYSA-N
MW286.34 g/mol
LogP-0.34
Rot. Bonds3

About N-(1-cyanopyrrolidin-3-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide

N-(1-cyanopyrrolidin-3-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide (PubChem CID 155803029) has the molecular formula C14H18N6O and a molecular weight of 286.34 g/mol. Its IUPAC name is N-(1-cyanopyrrolidin-3-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide.

Molecular Properties

Compound NameN-(1-cyanopyrrolidin-3-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide
PubChem CID155803029
Molecular FormulaC14H18N6O
Molecular Weight286.34 g/mol
Exact Mass286.15
IUPAC NameN-(1-cyanopyrrolidin-3-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide
SMILESN#CN1CCC(NC(=O)C2CC(c3ccccn3)NN2)C1
InChIInChI=1S/C14H18N6O/c15-9-20-6-4-10(8-20)17-14(21)13-7-12(18-19-13)11-3-1-2-5-16-11/h1-3,5,10,12-13,18-19H,4,6-8H2,(H,17,21)
InChIKeyZCOJXWNFXQIRKH-UHFFFAOYSA-N
XLogP-0.34
TPSA93.08 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.34
LogP ≤ 5-0.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyanate_/aminonitrile_/thiocyanate', 'substructure': 'N/A'}

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Related Compounds

N-(1-cyanopyrrolidin-3-yl)-5-pyridin-4-ylpyrazolidine-3-carboxamide
CID 155803036
5-phenyl-N-(1-pyridin-2-ylpyrrolidin-3-yl)pyrazolidine-3-carboxamide
CID 133108668
5-phenyl-N-(1-pyrimidin-2-ylpiperidin-3-yl)pyrazolidine-3-carboxamide
CID 52986688
N-[(3R)-1-cyanopyrrolidin-3-yl]-4-pyridin-2-ylpyridine-2-carboxamide
CID 122590587
N-(4-acetamidophenyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 75188084
N-(1-cyanopyrrolidin-3-yl)-5-phenylpyrimidine-2-carboxamide
CID 122590469
N-[3-(3,5-dimethylpiperidin-1-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 75261568
N-(1-cyanopyrrolidin-3-yl)-3-phenyl-1H-pyrazole-5-carboxamide
CID 122590866
N-(2-methyl-1-thiophen-2-ylpropyl)-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 75261513
N-[3-(1-methylbenzimidazol-2-yl)propyl]-5-pyridin-2-ylpyrazolidine-3-carboxamide
CID 134126384
N-[(3R)-1-cyanopyrrolidin-3-yl]-N-deuterio-4-pyrimidin-2-yl-2,3-dihydro-1,4-benzoxazine-7-carboxamide
CID 175964772
N-[(2-chlorophenyl)methyl]-1-(5-pyridin-2-ylpyrazolidine-3-carbonyl)piperidine-3-carboxamide
CID 75551300

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanopyrrolidin-3-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The IUPAC name of N-(1-cyanopyrrolidin-3-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide (CID 155803029) is N-(1-cyanopyrrolidin-3-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide.
What is the SMILES notation for N-(1-cyanopyrrolidin-3-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The canonical SMILES for N-(1-cyanopyrrolidin-3-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide is N#CN1CCC(NC(=O)C2CC(c3ccccn3)NN2)C1.
What is the InChIKey of N-(1-cyanopyrrolidin-3-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide?
The InChIKey is ZCOJXWNFXQIRKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N6O/c15-9-20-6-4-10(8-20)17-14(21)13-7-12(18-19-13)11-3-1-2-5-16-11/h1-3,5,10,12-13,18-19H,4,6-8H2,(H,17,21).
What are the key properties of N-(1-cyanopyrrolidin-3-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide?
N-(1-cyanopyrrolidin-3-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide has a molecular weight of 286.34 g/mol, XLogP of -0.34, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanopyrrolidin-3-yl)-5-pyridin-2-ylpyrazolidine-3-carboxamide is sourced from PubChem (CID 155803029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).