4-(ethylamino)-5-phenylpyridine-3-carbonitrile

C14H13N3 — CID 69411207

IUPAC4-(ethylamino)-5-phenylpyridine-3-carbonitrile
SMILESCCNc1c(C#N)cncc1-c1ccccc1
InChIInChI=1S/C14H13N3/c1-2-17-14-12(8-15)9-16-10-13(14)11-6-4-3-5-7-11/h3-7,9-10H,2H2,1H3,(H,16,17)
InChIKeyFYFWRBCPEMVKMZ-UHFFFAOYSA-N
MW223.28 g/mol
LogP3.05
Rot. Bonds3

About 4-(ethylamino)-5-phenylpyridine-3-carbonitrile

4-(ethylamino)-5-phenylpyridine-3-carbonitrile (PubChem CID 69411207) has the molecular formula C14H13N3 and a molecular weight of 223.28 g/mol. Its IUPAC name is 4-(ethylamino)-5-phenylpyridine-3-carbonitrile.

Molecular Properties

Compound Name4-(ethylamino)-5-phenylpyridine-3-carbonitrile
PubChem CID69411207
Molecular FormulaC14H13N3
Molecular Weight223.28 g/mol
Exact Mass223.11
IUPAC Name4-(ethylamino)-5-phenylpyridine-3-carbonitrile
SMILESCCNc1c(C#N)cncc1-c1ccccc1
InChIInChI=1S/C14H13N3/c1-2-17-14-12(8-15)9-16-10-13(14)11-6-4-3-5-7-11/h3-7,9-10H,2H2,1H3,(H,16,17)
InChIKeyFYFWRBCPEMVKMZ-UHFFFAOYSA-N
XLogP3.05
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-(ethylamino)-5-phenylpyridine-3-carbonitrile?
The IUPAC name of 4-(ethylamino)-5-phenylpyridine-3-carbonitrile (CID 69411207) is 4-(ethylamino)-5-phenylpyridine-3-carbonitrile.
What is the SMILES notation for 4-(ethylamino)-5-phenylpyridine-3-carbonitrile?
The canonical SMILES for 4-(ethylamino)-5-phenylpyridine-3-carbonitrile is CCNc1c(C#N)cncc1-c1ccccc1.
What is the InChIKey of 4-(ethylamino)-5-phenylpyridine-3-carbonitrile?
The InChIKey is FYFWRBCPEMVKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3/c1-2-17-14-12(8-15)9-16-10-13(14)11-6-4-3-5-7-11/h3-7,9-10H,2H2,1H3,(H,16,17).
What are the key properties of 4-(ethylamino)-5-phenylpyridine-3-carbonitrile?
4-(ethylamino)-5-phenylpyridine-3-carbonitrile has a molecular weight of 223.28 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(ethylamino)-5-phenylpyridine-3-carbonitrile is sourced from PubChem (CID 69411207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).