5-[2-[2-methyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine

C19H16N4 — CID 58235324

IUPAC5-[2-[2-methyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine
SMILESCc1cc(-c2ccnc(C)c2C#Cc2ccc(N)nc2)ccn1
InChIInChI=1S/C19H16N4/c1-13-11-16(7-9-21-13)18-8-10-22-14(2)17(18)5-3-15-4-6-19(20)23-12-15/h4,6-12H,1-2H3,(H2,20,23)
InChIKeyYIAPDELYRSBCAA-UHFFFAOYSA-N
MW300.37 g/mol
LogP3.14
Rot. Bonds1

About 5-[2-[2-methyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine

5-[2-[2-methyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine (PubChem CID 58235324) has the molecular formula C19H16N4 and a molecular weight of 300.37 g/mol. Its IUPAC name is 5-[2-[2-methyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine.

Molecular Properties

Compound Name5-[2-[2-methyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine
PubChem CID58235324
Molecular FormulaC19H16N4
Molecular Weight300.37 g/mol
Exact Mass300.14
IUPAC Name5-[2-[2-methyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine
SMILESCc1cc(-c2ccnc(C)c2C#Cc2ccc(N)nc2)ccn1
InChIInChI=1S/C19H16N4/c1-13-11-16(7-9-21-13)18-8-10-22-14(2)17(18)5-3-15-4-6-19(20)23-12-15/h4,6-12H,1-2H3,(H2,20,23)
InChIKeyYIAPDELYRSBCAA-UHFFFAOYSA-N
XLogP3.14
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-methyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine?
The IUPAC name of 5-[2-[2-methyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine (CID 58235324) is 5-[2-[2-methyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine.
What is the SMILES notation for 5-[2-[2-methyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine?
The canonical SMILES for 5-[2-[2-methyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine is Cc1cc(-c2ccnc(C)c2C#Cc2ccc(N)nc2)ccn1.
What is the InChIKey of 5-[2-[2-methyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine?
The InChIKey is YIAPDELYRSBCAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4/c1-13-11-16(7-9-21-13)18-8-10-22-14(2)17(18)5-3-15-4-6-19(20)23-12-15/h4,6-12H,1-2H3,(H2,20,23).
What are the key properties of 5-[2-[2-methyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine?
5-[2-[2-methyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine has a molecular weight of 300.37 g/mol, XLogP of 3.14, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-methyl-4-(2-methyl-4-pyridinyl)-3-pyridinyl]ethynyl]pyridin-2-amine is sourced from PubChem (CID 58235324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).