6-amino-N-ethyl-5-[3-[2-(6-methyl-3-pyridinyl)ethylamino]propylamino]pyridine-3-carboxamide

C19H28N6O — CID 176990305

IUPAC6-amino-N-ethyl-5-[3-[2-(6-methyl-3-pyridinyl)ethylamino]propylamino]pyridine-3-carboxamide
SMILESCCNC(=O)c1cnc(N)c(NCCCNCCc2ccc(C)nc2)c1
InChIInChI=1S/C19H28N6O/c1-3-22-19(26)16-11-17(18(20)25-13-16)23-9-4-8-21-10-7-15-6-5-14(2)24-12-15/h5-6,11-13,21,23H,3-4,7-10H2,1-2H3,(H2,20,25)(H,22,26)
InChIKeyZNCKQIXTACKXMI-UHFFFAOYSA-N
MW356.47 g/mol
LogP1.75
Rot. Bonds10

About 6-amino-N-ethyl-5-[3-[2-(6-methyl-3-pyridinyl)ethylamino]propylamino]pyridine-3-carboxamide

6-amino-N-ethyl-5-[3-[2-(6-methyl-3-pyridinyl)ethylamino]propylamino]pyridine-3-carboxamide (PubChem CID 176990305) has the molecular formula C19H28N6O and a molecular weight of 356.47 g/mol. Its IUPAC name is 6-amino-N-ethyl-5-[3-[2-(6-methyl-3-pyridinyl)ethylamino]propylamino]pyridine-3-carboxamide.

Molecular Properties

Compound Name6-amino-N-ethyl-5-[3-[2-(6-methyl-3-pyridinyl)ethylamino]propylamino]pyridine-3-carboxamide
PubChem CID176990305
Molecular FormulaC19H28N6O
Molecular Weight356.47 g/mol
Exact Mass356.23
IUPAC Name6-amino-N-ethyl-5-[3-[2-(6-methyl-3-pyridinyl)ethylamino]propylamino]pyridine-3-carboxamide
SMILESCCNC(=O)c1cnc(N)c(NCCCNCCc2ccc(C)nc2)c1
InChIInChI=1S/C19H28N6O/c1-3-22-19(26)16-11-17(18(20)25-13-16)23-9-4-8-21-10-7-15-6-5-14(2)24-12-15/h5-6,11-13,21,23H,3-4,7-10H2,1-2H3,(H2,20,25)(H,22,26)
InChIKeyZNCKQIXTACKXMI-UHFFFAOYSA-N
XLogP1.75
TPSA104.96 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 51.75
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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-amino-N-ethyl-5-[3-[2-(6-methyl-3-pyridinyl)ethylamino]propylamino]pyridine-3-carboxamide?
The IUPAC name of 6-amino-N-ethyl-5-[3-[2-(6-methyl-3-pyridinyl)ethylamino]propylamino]pyridine-3-carboxamide (CID 176990305) is 6-amino-N-ethyl-5-[3-[2-(6-methyl-3-pyridinyl)ethylamino]propylamino]pyridine-3-carboxamide.
What is the SMILES notation for 6-amino-N-ethyl-5-[3-[2-(6-methyl-3-pyridinyl)ethylamino]propylamino]pyridine-3-carboxamide?
The canonical SMILES for 6-amino-N-ethyl-5-[3-[2-(6-methyl-3-pyridinyl)ethylamino]propylamino]pyridine-3-carboxamide is CCNC(=O)c1cnc(N)c(NCCCNCCc2ccc(C)nc2)c1.
What is the InChIKey of 6-amino-N-ethyl-5-[3-[2-(6-methyl-3-pyridinyl)ethylamino]propylamino]pyridine-3-carboxamide?
The InChIKey is ZNCKQIXTACKXMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28N6O/c1-3-22-19(26)16-11-17(18(20)25-13-16)23-9-4-8-21-10-7-15-6-5-14(2)24-12-15/h5-6,11-13,21,23H,3-4,7-10H2,1-2H3,(H2,20,25)(H,22,26).
What are the key properties of 6-amino-N-ethyl-5-[3-[2-(6-methyl-3-pyridinyl)ethylamino]propylamino]pyridine-3-carboxamide?
6-amino-N-ethyl-5-[3-[2-(6-methyl-3-pyridinyl)ethylamino]propylamino]pyridine-3-carboxamide has a molecular weight of 356.47 g/mol, XLogP of 1.75, 10 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-N-ethyl-5-[3-[2-(6-methyl-3-pyridinyl)ethylamino]propylamino]pyridine-3-carboxamide is sourced from PubChem (CID 176990305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).