6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide

C20H23N7O — CID 56743182

IUPAC6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCc1ccccn1)c1ccc(NCc2nnc3n2CCC3)nc1
InChIInChI=1S/C20H23N7O/c28-20(22-11-3-6-16-5-1-2-10-21-16)15-8-9-17(23-13-15)24-14-19-26-25-18-7-4-12-27(18)19/h1-2,5,8-10,13H,3-4,6-7,11-12,14H2,(H,22,28)(H,23,24)
InChIKeyRIYPGRPDICLSQC-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.99
Rot. Bonds8

About 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide

6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide (PubChem CID 56743182) has the molecular formula C20H23N7O and a molecular weight of 377.45 g/mol. Its IUPAC name is 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide.

Molecular Properties

Compound Name6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide
PubChem CID56743182
Molecular FormulaC20H23N7O
Molecular Weight377.45 g/mol
Exact Mass377.20
IUPAC Name6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide
SMILESO=C(NCCCc1ccccn1)c1ccc(NCc2nnc3n2CCC3)nc1
InChIInChI=1S/C20H23N7O/c28-20(22-11-3-6-16-5-1-2-10-21-16)15-8-9-17(23-13-15)24-14-19-26-25-18-7-4-12-27(18)19/h1-2,5,8-10,13H,3-4,6-7,11-12,14H2,(H,22,28)(H,23,24)
InChIKeyRIYPGRPDICLSQC-UHFFFAOYSA-N
XLogP1.99
TPSA97.62 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide?
The IUPAC name of 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide (CID 56743182) is 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide.
What is the SMILES notation for 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide?
The canonical SMILES for 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide is O=C(NCCCc1ccccn1)c1ccc(NCc2nnc3n2CCC3)nc1.
What is the InChIKey of 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide?
The InChIKey is RIYPGRPDICLSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N7O/c28-20(22-11-3-6-16-5-1-2-10-21-16)15-8-9-17(23-13-15)24-14-19-26-25-18-7-4-12-27(18)19/h1-2,5,8-10,13H,3-4,6-7,11-12,14H2,(H,22,28)(H,23,24).
What are the key properties of 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide?
6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide has a molecular weight of 377.45 g/mol, XLogP of 1.99, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(6,7-dihydro-5H-pyrrolo[2,1-c][1,2,4]triazol-3-ylmethylamino)-N-(3-pyridin-2-ylpropyl)pyridine-3-carboxamide is sourced from PubChem (CID 56743182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).