2-[(1-benzylpiperidin-4-yl)amino]-6-chloropyridine-3,5-dicarbonitrile

C19H18ClN5 — CID 73356781

IUPAC2-[(1-benzylpiperidin-4-yl)amino]-6-chloropyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(NC2CCN(Cc3ccccc3)CC2)nc1Cl
InChIInChI=1S/C19H18ClN5/c20-18-15(11-21)10-16(12-22)19(24-18)23-17-6-8-25(9-7-17)13-14-4-2-1-3-5-14/h1-5,10,17H,6-9,13H2,(H,23,24)
InChIKeyAPUNUGFNNAECLO-UHFFFAOYSA-N
MW351.84 g/mol
LogP3.55
Rot. Bonds4

About 2-[(1-benzylpiperidin-4-yl)amino]-6-chloropyridine-3,5-dicarbonitrile

2-[(1-benzylpiperidin-4-yl)amino]-6-chloropyridine-3,5-dicarbonitrile (PubChem CID 73356781) has the molecular formula C19H18ClN5 and a molecular weight of 351.84 g/mol. Its IUPAC name is 2-[(1-benzylpiperidin-4-yl)amino]-6-chloropyridine-3,5-dicarbonitrile.

Molecular Properties

Compound Name2-[(1-benzylpiperidin-4-yl)amino]-6-chloropyridine-3,5-dicarbonitrile
PubChem CID73356781
Molecular FormulaC19H18ClN5
Molecular Weight351.84 g/mol
Exact Mass351.13
IUPAC Name2-[(1-benzylpiperidin-4-yl)amino]-6-chloropyridine-3,5-dicarbonitrile
SMILESN#Cc1cc(C#N)c(NC2CCN(Cc3ccccc3)CC2)nc1Cl
InChIInChI=1S/C19H18ClN5/c20-18-15(11-21)10-16(12-22)19(24-18)23-17-6-8-25(9-7-17)13-14-4-2-1-3-5-14/h1-5,10,17H,6-9,13H2,(H,23,24)
InChIKeyAPUNUGFNNAECLO-UHFFFAOYSA-N
XLogP3.55
TPSA75.74 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.84
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-6-chloropyridine-3,5-dicarbonitrile?
The IUPAC name of 2-[(1-benzylpiperidin-4-yl)amino]-6-chloropyridine-3,5-dicarbonitrile (CID 73356781) is 2-[(1-benzylpiperidin-4-yl)amino]-6-chloropyridine-3,5-dicarbonitrile.
What is the SMILES notation for 2-[(1-benzylpiperidin-4-yl)amino]-6-chloropyridine-3,5-dicarbonitrile?
The canonical SMILES for 2-[(1-benzylpiperidin-4-yl)amino]-6-chloropyridine-3,5-dicarbonitrile is N#Cc1cc(C#N)c(NC2CCN(Cc3ccccc3)CC2)nc1Cl.
What is the InChIKey of 2-[(1-benzylpiperidin-4-yl)amino]-6-chloropyridine-3,5-dicarbonitrile?
The InChIKey is APUNUGFNNAECLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5/c20-18-15(11-21)10-16(12-22)19(24-18)23-17-6-8-25(9-7-17)13-14-4-2-1-3-5-14/h1-5,10,17H,6-9,13H2,(H,23,24).
What are the key properties of 2-[(1-benzylpiperidin-4-yl)amino]-6-chloropyridine-3,5-dicarbonitrile?
2-[(1-benzylpiperidin-4-yl)amino]-6-chloropyridine-3,5-dicarbonitrile has a molecular weight of 351.84 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzylpiperidin-4-yl)amino]-6-chloropyridine-3,5-dicarbonitrile is sourced from PubChem (CID 73356781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).