N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine

C19H22N6 — CID 67149958

IUPACN'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine
SMILESCc1ccnc(Nc2cccc(-c3ccnc(NCCCN)c3)n2)c1
InChIInChI=1S/C19H22N6/c1-14-6-10-23-19(12-14)25-17-5-2-4-16(24-17)15-7-11-22-18(13-15)21-9-3-8-20/h2,4-7,10-13H,3,8-9,20H2,1H3,(H,21,22)(H,23,24,25)
InChIKeyGHGKBOFTWSFZCK-UHFFFAOYSA-N
MW334.43 g/mol
LogP3.35
Rot. Bonds7

About N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine

N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine (PubChem CID 67149958) has the molecular formula C19H22N6 and a molecular weight of 334.43 g/mol. Its IUPAC name is N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine.

Molecular Properties

Compound NameN'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine
PubChem CID67149958
Molecular FormulaC19H22N6
Molecular Weight334.43 g/mol
Exact Mass334.19
IUPAC NameN'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine
SMILESCc1ccnc(Nc2cccc(-c3ccnc(NCCCN)c3)n2)c1
InChIInChI=1S/C19H22N6/c1-14-6-10-23-19(12-14)25-17-5-2-4-16(24-17)15-7-11-22-18(13-15)21-9-3-8-20/h2,4-7,10-13H,3,8-9,20H2,1H3,(H,21,22)(H,23,24,25)
InChIKeyGHGKBOFTWSFZCK-UHFFFAOYSA-N
XLogP3.35
TPSA88.75 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.43
LogP ≤ 53.35
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 N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine?
The IUPAC name of N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine (CID 67149958) is N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine.
What is the SMILES notation for N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine?
The canonical SMILES for N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine is Cc1ccnc(Nc2cccc(-c3ccnc(NCCCN)c3)n2)c1.
What is the InChIKey of N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine?
The InChIKey is GHGKBOFTWSFZCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6/c1-14-6-10-23-19(12-14)25-17-5-2-4-16(24-17)15-7-11-22-18(13-15)21-9-3-8-20/h2,4-7,10-13H,3,8-9,20H2,1H3,(H,21,22)(H,23,24,25).
What are the key properties of N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine?
N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine has a molecular weight of 334.43 g/mol, XLogP of 3.35, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[4-[6-[(4-methyl-2-pyridinyl)amino]-2-pyridinyl]-2-pyridinyl]propane-1,3-diamine is sourced from PubChem (CID 67149958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).