2-[2-(quinazolin-4-ylamino)ethylamino]pyridine-3-carbonitrile

C16H14N6 — CID 53498953

IUPAC2-[2-(quinazolin-4-ylamino)ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCCNc1ncnc2ccccc12
InChIInChI=1S/C16H14N6/c17-10-12-4-3-7-18-15(12)19-8-9-20-16-13-5-1-2-6-14(13)21-11-22-16/h1-7,11H,8-9H2,(H,18,19)(H,20,21,22)
InChIKeyKTEZWOIUXUQRDS-UHFFFAOYSA-N
MW290.33 g/mol
LogP2.42
Rot. Bonds5

About 2-[2-(quinazolin-4-ylamino)ethylamino]pyridine-3-carbonitrile

2-[2-(quinazolin-4-ylamino)ethylamino]pyridine-3-carbonitrile (PubChem CID 53498953) has the molecular formula C16H14N6 and a molecular weight of 290.33 g/mol. Its IUPAC name is 2-[2-(quinazolin-4-ylamino)ethylamino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[2-(quinazolin-4-ylamino)ethylamino]pyridine-3-carbonitrile
PubChem CID53498953
Molecular FormulaC16H14N6
Molecular Weight290.33 g/mol
Exact Mass290.13
IUPAC Name2-[2-(quinazolin-4-ylamino)ethylamino]pyridine-3-carbonitrile
SMILESN#Cc1cccnc1NCCNc1ncnc2ccccc12
InChIInChI=1S/C16H14N6/c17-10-12-4-3-7-18-15(12)19-8-9-20-16-13-5-1-2-6-14(13)21-11-22-16/h1-7,11H,8-9H2,(H,18,19)(H,20,21,22)
InChIKeyKTEZWOIUXUQRDS-UHFFFAOYSA-N
XLogP2.42
TPSA86.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.33
LogP ≤ 52.42
H-Bond Donors ≤ 52
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 2-[2-(quinazolin-4-ylamino)ethylamino]pyridine-3-carbonitrile?
The IUPAC name of 2-[2-(quinazolin-4-ylamino)ethylamino]pyridine-3-carbonitrile (CID 53498953) is 2-[2-(quinazolin-4-ylamino)ethylamino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[2-(quinazolin-4-ylamino)ethylamino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[2-(quinazolin-4-ylamino)ethylamino]pyridine-3-carbonitrile is N#Cc1cccnc1NCCNc1ncnc2ccccc12.
What is the InChIKey of 2-[2-(quinazolin-4-ylamino)ethylamino]pyridine-3-carbonitrile?
The InChIKey is KTEZWOIUXUQRDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N6/c17-10-12-4-3-7-18-15(12)19-8-9-20-16-13-5-1-2-6-14(13)21-11-22-16/h1-7,11H,8-9H2,(H,18,19)(H,20,21,22).
What are the key properties of 2-[2-(quinazolin-4-ylamino)ethylamino]pyridine-3-carbonitrile?
2-[2-(quinazolin-4-ylamino)ethylamino]pyridine-3-carbonitrile has a molecular weight of 290.33 g/mol, XLogP of 2.42, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(quinazolin-4-ylamino)ethylamino]pyridine-3-carbonitrile is sourced from PubChem (CID 53498953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).