2-(3-aminopropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

C12H18N4O — CID 62269859

IUPAC2-(3-aminopropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESNCCCNc1nc2c(cc1C(N)=O)CCC2
InChIInChI=1S/C12H18N4O/c13-5-2-6-15-12-9(11(14)17)7-8-3-1-4-10(8)16-12/h7H,1-6,13H2,(H2,14,17)(H,15,16)
InChIKeyONVWJKNYGFOOGP-UHFFFAOYSA-N
MW234.30 g/mol
LogP0.43
Rot. Bonds5

About 2-(3-aminopropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide

2-(3-aminopropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (PubChem CID 62269859) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is 2-(3-aminopropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-(3-aminopropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
PubChem CID62269859
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC Name2-(3-aminopropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide
SMILESNCCCNc1nc2c(cc1C(N)=O)CCC2
InChIInChI=1S/C12H18N4O/c13-5-2-6-15-12-9(11(14)17)7-8-3-1-4-10(8)16-12/h7H,1-6,13H2,(H2,14,17)(H,15,16)
InChIKeyONVWJKNYGFOOGP-UHFFFAOYSA-N
XLogP0.43
TPSA94.03 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 50.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 2-(3-aminopropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The IUPAC name of 2-(3-aminopropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide (CID 62269859) is 2-(3-aminopropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide.
What is the SMILES notation for 2-(3-aminopropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The canonical SMILES for 2-(3-aminopropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is NCCCNc1nc2c(cc1C(N)=O)CCC2.
What is the InChIKey of 2-(3-aminopropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
The InChIKey is ONVWJKNYGFOOGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c13-5-2-6-15-12-9(11(14)17)7-8-3-1-4-10(8)16-12/h7H,1-6,13H2,(H2,14,17)(H,15,16).
What are the key properties of 2-(3-aminopropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide?
2-(3-aminopropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 0.43, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropylamino)-6,7-dihydro-5H-cyclopenta[b]pyridine-3-carboxamide is sourced from PubChem (CID 62269859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).