3-[(4-butylanilino)methyl]pyridine-2-carbonitrile

C17H19N3 — CID 62893497

IUPAC3-[(4-butylanilino)methyl]pyridine-2-carbonitrile
SMILESCCCCc1ccc(NCc2cccnc2C#N)cc1
InChIInChI=1S/C17H19N3/c1-2-3-5-14-7-9-16(10-8-14)20-13-15-6-4-11-19-17(15)12-18/h4,6-11,20H,2-3,5,13H2,1H3
InChIKeyDAOPNAWAIZDXDK-UHFFFAOYSA-N
MW265.36 g/mol
LogP3.91
Rot. Bonds6

About 3-[(4-butylanilino)methyl]pyridine-2-carbonitrile

3-[(4-butylanilino)methyl]pyridine-2-carbonitrile (PubChem CID 62893497) has the molecular formula C17H19N3 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[(4-butylanilino)methyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name3-[(4-butylanilino)methyl]pyridine-2-carbonitrile
PubChem CID62893497
Molecular FormulaC17H19N3
Molecular Weight265.36 g/mol
Exact Mass265.16
IUPAC Name3-[(4-butylanilino)methyl]pyridine-2-carbonitrile
SMILESCCCCc1ccc(NCc2cccnc2C#N)cc1
InChIInChI=1S/C17H19N3/c1-2-3-5-14-7-9-16(10-8-14)20-13-15-6-4-11-19-17(15)12-18/h4,6-11,20H,2-3,5,13H2,1H3
InChIKeyDAOPNAWAIZDXDK-UHFFFAOYSA-N
XLogP3.91
TPSA48.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-butylanilino)methyl]pyridine-2-carbonitrile?
The IUPAC name of 3-[(4-butylanilino)methyl]pyridine-2-carbonitrile (CID 62893497) is 3-[(4-butylanilino)methyl]pyridine-2-carbonitrile.
What is the SMILES notation for 3-[(4-butylanilino)methyl]pyridine-2-carbonitrile?
The canonical SMILES for 3-[(4-butylanilino)methyl]pyridine-2-carbonitrile is CCCCc1ccc(NCc2cccnc2C#N)cc1.
What is the InChIKey of 3-[(4-butylanilino)methyl]pyridine-2-carbonitrile?
The InChIKey is DAOPNAWAIZDXDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3/c1-2-3-5-14-7-9-16(10-8-14)20-13-15-6-4-11-19-17(15)12-18/h4,6-11,20H,2-3,5,13H2,1H3.
What are the key properties of 3-[(4-butylanilino)methyl]pyridine-2-carbonitrile?
3-[(4-butylanilino)methyl]pyridine-2-carbonitrile has a molecular weight of 265.36 g/mol, XLogP of 3.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-butylanilino)methyl]pyridine-2-carbonitrile is sourced from PubChem (CID 62893497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).