5-(5-ethyl-3-pyridinyl)-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine

C21H23N3 — CID 170311249

IUPAC5-(5-ethyl-3-pyridinyl)-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine
SMILESCCc1cncc(-c2ccc(NC(C)c3ccc(C)cc3)nc2)c1
InChIInChI=1S/C21H23N3/c1-4-17-11-20(13-22-12-17)19-9-10-21(23-14-19)24-16(3)18-7-5-15(2)6-8-18/h5-14,16H,4H2,1-3H3,(H,23,24)
InChIKeyYDPPSGOTDVFDAE-UHFFFAOYSA-N
MW317.44 g/mol
LogP5.19
Rot. Bonds5

About 5-(5-ethyl-3-pyridinyl)-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine

5-(5-ethyl-3-pyridinyl)-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine (PubChem CID 170311249) has the molecular formula C21H23N3 and a molecular weight of 317.44 g/mol. Its IUPAC name is 5-(5-ethyl-3-pyridinyl)-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine.

Molecular Properties

Compound Name5-(5-ethyl-3-pyridinyl)-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine
PubChem CID170311249
Molecular FormulaC21H23N3
Molecular Weight317.44 g/mol
Exact Mass317.19
IUPAC Name5-(5-ethyl-3-pyridinyl)-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine
SMILESCCc1cncc(-c2ccc(NC(C)c3ccc(C)cc3)nc2)c1
InChIInChI=1S/C21H23N3/c1-4-17-11-20(13-22-12-17)19-9-10-21(23-14-19)24-16(3)18-7-5-15(2)6-8-18/h5-14,16H,4H2,1-3H3,(H,23,24)
InChIKeyYDPPSGOTDVFDAE-UHFFFAOYSA-N
XLogP5.19
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500317.44
LogP ≤ 55.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(5-ethyl-3-pyridinyl)-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine?
The IUPAC name of 5-(5-ethyl-3-pyridinyl)-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine (CID 170311249) is 5-(5-ethyl-3-pyridinyl)-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine.
What is the SMILES notation for 5-(5-ethyl-3-pyridinyl)-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine?
The canonical SMILES for 5-(5-ethyl-3-pyridinyl)-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine is CCc1cncc(-c2ccc(NC(C)c3ccc(C)cc3)nc2)c1.
What is the InChIKey of 5-(5-ethyl-3-pyridinyl)-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine?
The InChIKey is YDPPSGOTDVFDAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3/c1-4-17-11-20(13-22-12-17)19-9-10-21(23-14-19)24-16(3)18-7-5-15(2)6-8-18/h5-14,16H,4H2,1-3H3,(H,23,24).
What are the key properties of 5-(5-ethyl-3-pyridinyl)-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine?
5-(5-ethyl-3-pyridinyl)-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine has a molecular weight of 317.44 g/mol, XLogP of 5.19, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-ethyl-3-pyridinyl)-N-[1-(4-methylphenyl)ethyl]pyridin-2-amine is sourced from PubChem (CID 170311249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).