5-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide

C15H18N6O — CID 45053622

IUPAC5-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide
SMILESCn1cccc1C1CC(C(=O)N/N=C/c2cccnc2)NN1
InChIInChI=1S/C15H18N6O/c1-21-7-3-5-14(21)12-8-13(19-18-12)15(22)20-17-10-11-4-2-6-16-9-11/h2-7,9-10,12-13,18-19H,8H2,1H3,(H,20,22)/b17-10+
InChIKeyJYNOFTWWCVIDSR-LICLKQGHSA-N
MW298.35 g/mol
LogP0.48
Rot. Bonds4

About 5-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide

5-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide (PubChem CID 45053622) has the molecular formula C15H18N6O and a molecular weight of 298.35 g/mol. Its IUPAC name is 5-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide.

Molecular Properties

Compound Name5-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide
PubChem CID45053622
Molecular FormulaC15H18N6O
Molecular Weight298.35 g/mol
Exact Mass298.15
IUPAC Name5-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide
SMILESCn1cccc1C1CC(C(=O)N/N=C/c2cccnc2)NN1
InChIInChI=1S/C15H18N6O/c1-21-7-3-5-14(21)12-8-13(19-18-12)15(22)20-17-10-11-4-2-6-16-9-11/h2-7,9-10,12-13,18-19H,8H2,1H3,(H,20,22)/b17-10+
InChIKeyJYNOFTWWCVIDSR-LICLKQGHSA-N
XLogP0.48
TPSA83.34 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 50.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

5-(5-methylfuran-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide
CID 178202265
5-(4-ethoxy-3-methoxyphenyl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide
CID 52963464
[5-(1-methylpyrrol-2-yl)pyrazolidin-3-yl]-(2-pyridin-3-ylpyrrolidin-1-yl)methanone
CID 134067514
5-(1-methylpyrrol-2-yl)-N-[(4-pyrazol-1-ylphenyl)methyl]pyrazolidine-3-carboxamide
CID 78082179
N,N'-bis(pyridin-3-ylmethylideneamino)pentanediamide
CID 4208581
N-[(E)-(4-methoxyphenyl)methylideneamino]-5-phenylpyrazolidine-3-carboxamide
CID 178189290
2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-pyridin-3-ylmethylideneamino]acetamide
CID 126202012
N-(1-methylindol-4-yl)-5-pyridin-3-ylpyrazolidine-3-carboxamide
CID 134086275
(3R,4S)-2-oxo-4-phenyl-N-[(E)-pyridin-3-ylmethylideneamino]pyrrolidine-3-carboxamide
CID 39858118
N-[(Z)-pyridin-3-ylmethylideneamino]decanamide
CID 6008044
6-methyl-N-[(Z)-pyridin-3-ylmethylideneamino]pyridine-3-carboxamide
CID 6070249
N-[(Z)-pyridin-3-ylmethylideneamino]dodecanamide
CID 6018184

Frequently Asked Questions

What is the IUPAC name of 5-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide?
The IUPAC name of 5-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide (CID 45053622) is 5-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide.
What is the SMILES notation for 5-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide?
The canonical SMILES for 5-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide is Cn1cccc1C1CC(C(=O)N/N=C/c2cccnc2)NN1.
What is the InChIKey of 5-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide?
The InChIKey is JYNOFTWWCVIDSR-LICLKQGHSA-N. The full InChI is InChI=1S/C15H18N6O/c1-21-7-3-5-14(21)12-8-13(19-18-12)15(22)20-17-10-11-4-2-6-16-9-11/h2-7,9-10,12-13,18-19H,8H2,1H3,(H,20,22)/b17-10+.
What are the key properties of 5-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide?
5-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide has a molecular weight of 298.35 g/mol, XLogP of 0.48, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-methylpyrrol-2-yl)-N-[(E)-pyridin-3-ylmethylideneamino]pyrazolidine-3-carboxamide is sourced from PubChem (CID 45053622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).