6-[2-[3-[(2-amino-3-pyridinyl)amino]propylamino]ethyl]pyridine-3-carbonitrile;benzene

C22H26N6 — CID 177174937

IUPAC6-[2-[3-[(2-amino-3-pyridinyl)amino]propylamino]ethyl]pyridine-3-carbonitrile;benzene
SMILESN#Cc1ccc(CCNCCCNc2cccnc2N)nc1.c1ccccc1
InChIInChI=1S/C16H20N6.C6H6/c17-11-13-4-5-14(22-12-13)6-10-19-7-2-9-20-15-3-1-8-21-16(15)18;1-2-4-6-5-3-1/h1,3-5,8,12,19-20H,2,6-7,9-10H2,(H2,18,21);1-6H
InChIKeyZWGSSEVRQPORBL-UHFFFAOYSA-N
MW374.49 g/mol
LogP3.25
Rot. Bonds8

About 6-[2-[3-[(2-amino-3-pyridinyl)amino]propylamino]ethyl]pyridine-3-carbonitrile;benzene

6-[2-[3-[(2-amino-3-pyridinyl)amino]propylamino]ethyl]pyridine-3-carbonitrile;benzene (PubChem CID 177174937) has the molecular formula C22H26N6 and a molecular weight of 374.49 g/mol. Its IUPAC name is 6-[2-[3-[(2-amino-3-pyridinyl)amino]propylamino]ethyl]pyridine-3-carbonitrile;benzene.

Molecular Properties

Compound Name6-[2-[3-[(2-amino-3-pyridinyl)amino]propylamino]ethyl]pyridine-3-carbonitrile;benzene
PubChem CID177174937
Molecular FormulaC22H26N6
Molecular Weight374.49 g/mol
Exact Mass374.22
IUPAC Name6-[2-[3-[(2-amino-3-pyridinyl)amino]propylamino]ethyl]pyridine-3-carbonitrile;benzene
SMILESN#Cc1ccc(CCNCCCNc2cccnc2N)nc1.c1ccccc1
InChIInChI=1S/C16H20N6.C6H6/c17-11-13-4-5-14(22-12-13)6-10-19-7-2-9-20-15-3-1-8-21-16(15)18;1-2-4-6-5-3-1/h1,3-5,8,12,19-20H,2,6-7,9-10H2,(H2,18,21);1-6H
InChIKeyZWGSSEVRQPORBL-UHFFFAOYSA-N
XLogP3.25
TPSA99.65 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.49
LogP ≤ 53.25
H-Bond Donors ≤ 53
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-[2-[3-[(2-amino-3-pyridinyl)amino]propylamino]ethyl]pyridine-3-carbonitrile;benzene?
The IUPAC name of 6-[2-[3-[(2-amino-3-pyridinyl)amino]propylamino]ethyl]pyridine-3-carbonitrile;benzene (CID 177174937) is 6-[2-[3-[(2-amino-3-pyridinyl)amino]propylamino]ethyl]pyridine-3-carbonitrile;benzene.
What is the SMILES notation for 6-[2-[3-[(2-amino-3-pyridinyl)amino]propylamino]ethyl]pyridine-3-carbonitrile;benzene?
The canonical SMILES for 6-[2-[3-[(2-amino-3-pyridinyl)amino]propylamino]ethyl]pyridine-3-carbonitrile;benzene is N#Cc1ccc(CCNCCCNc2cccnc2N)nc1.c1ccccc1.
What is the InChIKey of 6-[2-[3-[(2-amino-3-pyridinyl)amino]propylamino]ethyl]pyridine-3-carbonitrile;benzene?
The InChIKey is ZWGSSEVRQPORBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6.C6H6/c17-11-13-4-5-14(22-12-13)6-10-19-7-2-9-20-15-3-1-8-21-16(15)18;1-2-4-6-5-3-1/h1,3-5,8,12,19-20H,2,6-7,9-10H2,(H2,18,21);1-6H.
What are the key properties of 6-[2-[3-[(2-amino-3-pyridinyl)amino]propylamino]ethyl]pyridine-3-carbonitrile;benzene?
6-[2-[3-[(2-amino-3-pyridinyl)amino]propylamino]ethyl]pyridine-3-carbonitrile;benzene has a molecular weight of 374.49 g/mol, XLogP of 3.25, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-[3-[(2-amino-3-pyridinyl)amino]propylamino]ethyl]pyridine-3-carbonitrile;benzene is sourced from PubChem (CID 177174937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).