2-N-butyl-6-pyridin-4-ylpyridine-2,3-diamine

C14H18N4 — CID 20550337

IUPAC2-N-butyl-6-pyridin-4-ylpyridine-2,3-diamine
SMILESCCCCNc1nc(-c2ccncc2)ccc1N
InChIInChI=1S/C14H18N4/c1-2-3-8-17-14-12(15)4-5-13(18-14)11-6-9-16-10-7-11/h4-7,9-10H,2-3,8,15H2,1H3,(H,17,18)
InChIKeyNOILYDHSNKPBPU-UHFFFAOYSA-N
MW242.33 g/mol
LogP2.94
Rot. Bonds5

About 2-N-butyl-6-pyridin-4-ylpyridine-2,3-diamine

2-N-butyl-6-pyridin-4-ylpyridine-2,3-diamine (PubChem CID 20550337) has the molecular formula C14H18N4 and a molecular weight of 242.33 g/mol. Its IUPAC name is 2-N-butyl-6-pyridin-4-ylpyridine-2,3-diamine.

Molecular Properties

Compound Name2-N-butyl-6-pyridin-4-ylpyridine-2,3-diamine
PubChem CID20550337
Molecular FormulaC14H18N4
Molecular Weight242.33 g/mol
Exact Mass242.15
IUPAC Name2-N-butyl-6-pyridin-4-ylpyridine-2,3-diamine
SMILESCCCCNc1nc(-c2ccncc2)ccc1N
InChIInChI=1S/C14H18N4/c1-2-3-8-17-14-12(15)4-5-13(18-14)11-6-9-16-10-7-11/h4-7,9-10H,2-3,8,15H2,1H3,(H,17,18)
InChIKeyNOILYDHSNKPBPU-UHFFFAOYSA-N
XLogP2.94
TPSA63.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.33
LogP ≤ 52.94
H-Bond Donors ≤ 52
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-N-butyl-6-pyridin-4-ylpyridine-2,3-diamine?
The IUPAC name of 2-N-butyl-6-pyridin-4-ylpyridine-2,3-diamine (CID 20550337) is 2-N-butyl-6-pyridin-4-ylpyridine-2,3-diamine.
What is the SMILES notation for 2-N-butyl-6-pyridin-4-ylpyridine-2,3-diamine?
The canonical SMILES for 2-N-butyl-6-pyridin-4-ylpyridine-2,3-diamine is CCCCNc1nc(-c2ccncc2)ccc1N.
What is the InChIKey of 2-N-butyl-6-pyridin-4-ylpyridine-2,3-diamine?
The InChIKey is NOILYDHSNKPBPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N4/c1-2-3-8-17-14-12(15)4-5-13(18-14)11-6-9-16-10-7-11/h4-7,9-10H,2-3,8,15H2,1H3,(H,17,18).
What are the key properties of 2-N-butyl-6-pyridin-4-ylpyridine-2,3-diamine?
2-N-butyl-6-pyridin-4-ylpyridine-2,3-diamine has a molecular weight of 242.33 g/mol, XLogP of 2.94, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-butyl-6-pyridin-4-ylpyridine-2,3-diamine is sourced from PubChem (CID 20550337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).