1-(3-aminopropanoyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide

C15H19N5O2 — CID 117072886

IUPAC1-(3-aminopropanoyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
SMILESNCCC(=O)N1CCC(C(=O)Nc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C15H19N5O2/c16-5-3-14(21)20-6-4-10(9-20)15(22)18-12-1-2-13-11(7-12)8-17-19-13/h1-2,7-8,10H,3-6,9,16H2,(H,17,19)(H,18,22)
InChIKeyNMGMQBRUELLEHU-UHFFFAOYSA-N
MW301.35 g/mol
LogP0.70
Rot. Bonds4

About 1-(3-aminopropanoyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide

1-(3-aminopropanoyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide (PubChem CID 117072886) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is 1-(3-aminopropanoyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-(3-aminopropanoyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
PubChem CID117072886
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name1-(3-aminopropanoyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide
SMILESNCCC(=O)N1CCC(C(=O)Nc2ccc3[nH]ncc3c2)C1
InChIInChI=1S/C15H19N5O2/c16-5-3-14(21)20-6-4-10(9-20)15(22)18-12-1-2-13-11(7-12)8-17-19-13/h1-2,7-8,10H,3-6,9,16H2,(H,17,19)(H,18,22)
InChIKeyNMGMQBRUELLEHU-UHFFFAOYSA-N
XLogP0.70
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 50.70
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropanoyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide?
The IUPAC name of 1-(3-aminopropanoyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide (CID 117072886) is 1-(3-aminopropanoyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-(3-aminopropanoyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide?
The canonical SMILES for 1-(3-aminopropanoyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide is NCCC(=O)N1CCC(C(=O)Nc2ccc3[nH]ncc3c2)C1.
What is the InChIKey of 1-(3-aminopropanoyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide?
The InChIKey is NMGMQBRUELLEHU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2/c16-5-3-14(21)20-6-4-10(9-20)15(22)18-12-1-2-13-11(7-12)8-17-19-13/h1-2,7-8,10H,3-6,9,16H2,(H,17,19)(H,18,22).
What are the key properties of 1-(3-aminopropanoyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide?
1-(3-aminopropanoyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide has a molecular weight of 301.35 g/mol, XLogP of 0.70, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropanoyl)-N-(1H-indazol-5-yl)pyrrolidine-3-carboxamide is sourced from PubChem (CID 117072886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).