3-[4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]benzamide

C24H24ClFN4O — CID 56675882

IUPAC3-[4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]benzamide
SMILESNC(=O)c1cccc(N2CCC(NC(c3cccnc3)c3ccc(Cl)cc3F)CC2)c1
InChIInChI=1S/C24H24ClFN4O/c25-18-6-7-21(22(26)14-18)23(17-4-2-10-28-15-17)29-19-8-11-30(12-9-19)20-5-1-3-16(13-20)24(27)31/h1-7,10,13-15,19,23,29H,8-9,11-12H2,(H2,27,31)
InChIKeyKEPRPJWFKRXOAR-UHFFFAOYSA-N
MW438.93 g/mol
LogP4.32
Rot. Bonds6

About 3-[4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]benzamide

3-[4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]benzamide (PubChem CID 56675882) has the molecular formula C24H24ClFN4O and a molecular weight of 438.93 g/mol. Its IUPAC name is 3-[4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]benzamide.

Molecular Properties

Compound Name3-[4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]benzamide
PubChem CID56675882
Molecular FormulaC24H24ClFN4O
Molecular Weight438.93 g/mol
Exact Mass438.16
IUPAC Name3-[4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]benzamide
SMILESNC(=O)c1cccc(N2CCC(NC(c3cccnc3)c3ccc(Cl)cc3F)CC2)c1
InChIInChI=1S/C24H24ClFN4O/c25-18-6-7-21(22(26)14-18)23(17-4-2-10-28-15-17)29-19-8-11-30(12-9-19)20-5-1-3-16(13-20)24(27)31/h1-7,10,13-15,19,23,29H,8-9,11-12H2,(H2,27,31)
InChIKeyKEPRPJWFKRXOAR-UHFFFAOYSA-N
XLogP4.32
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.93
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]benzamide?
The IUPAC name of 3-[4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]benzamide (CID 56675882) is 3-[4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]benzamide.
What is the SMILES notation for 3-[4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]benzamide?
The canonical SMILES for 3-[4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]benzamide is NC(=O)c1cccc(N2CCC(NC(c3cccnc3)c3ccc(Cl)cc3F)CC2)c1.
What is the InChIKey of 3-[4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]benzamide?
The InChIKey is KEPRPJWFKRXOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClFN4O/c25-18-6-7-21(22(26)14-18)23(17-4-2-10-28-15-17)29-19-8-11-30(12-9-19)20-5-1-3-16(13-20)24(27)31/h1-7,10,13-15,19,23,29H,8-9,11-12H2,(H2,27,31).
What are the key properties of 3-[4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]benzamide?
3-[4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]benzamide has a molecular weight of 438.93 g/mol, XLogP of 4.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[[(4-chloro-2-fluorophenyl)-pyridin-3-ylmethyl]amino]piperidin-1-yl]benzamide is sourced from PubChem (CID 56675882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).