N-(5-chloro-2-pyridinyl)-2-[[2-(3-fluorophenyl)-1-piperidin-4-ylpropyl]amino]benzamide

C26H28ClFN4O — CID 54529053

IUPACN-(5-chloro-2-pyridinyl)-2-[[2-(3-fluorophenyl)-1-piperidin-4-ylpropyl]amino]benzamide
SMILESCC(c1cccc(F)c1)C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)C1CCNCC1
InChIInChI=1S/C26H28ClFN4O/c1-17(19-5-4-6-21(28)15-19)25(18-11-13-29-14-12-18)31-23-8-3-2-7-22(23)26(33)32-24-10-9-20(27)16-30-24/h2-10,15-18,25,29,31H,11-14H2,1H3,(H,30,32,33)
InChIKeyYVELZBZNQVDZQP-UHFFFAOYSA-N
MW466.99 g/mol
LogP5.71
Rot. Bonds7

About N-(5-chloro-2-pyridinyl)-2-[[2-(3-fluorophenyl)-1-piperidin-4-ylpropyl]amino]benzamide

N-(5-chloro-2-pyridinyl)-2-[[2-(3-fluorophenyl)-1-piperidin-4-ylpropyl]amino]benzamide (PubChem CID 54529053) has the molecular formula C26H28ClFN4O and a molecular weight of 466.99 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-[[2-(3-fluorophenyl)-1-piperidin-4-ylpropyl]amino]benzamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-[[2-(3-fluorophenyl)-1-piperidin-4-ylpropyl]amino]benzamide
PubChem CID54529053
Molecular FormulaC26H28ClFN4O
Molecular Weight466.99 g/mol
Exact Mass466.19
IUPAC NameN-(5-chloro-2-pyridinyl)-2-[[2-(3-fluorophenyl)-1-piperidin-4-ylpropyl]amino]benzamide
SMILESCC(c1cccc(F)c1)C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)C1CCNCC1
InChIInChI=1S/C26H28ClFN4O/c1-17(19-5-4-6-21(28)15-19)25(18-11-13-29-14-12-18)31-23-8-3-2-7-22(23)26(33)32-24-10-9-20(27)16-30-24/h2-10,15-18,25,29,31H,11-14H2,1H3,(H,30,32,33)
InChIKeyYVELZBZNQVDZQP-UHFFFAOYSA-N
XLogP5.71
TPSA66.05 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.99
LogP ≤ 55.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[[2-(furan-2-yl)-1-piperidin-4-ylpropyl]amino]benzamide
CID 54546440
3-[(5-chloro-2-pyridinyl)carbamoyl]-4-[(2-methyl-1-piperidin-4-ylpropyl)amino]benzoic acid
CID 70065170
methyl 3-[(5-chloro-2-pyridinyl)carbamoyl]-4-(1-piperidin-4-ylbutylamino)benzoate
CID 57228152
N-(5-chloro-2-pyridinyl)-2-fluorobenzamide;hydrochloride
CID 163325720
N-(5-chloro-2-pyridinyl)-2-[3-(5-fluoro-3-pyridinyl)prop-2-enoylamino]benzamide
CID 91942882
N-(3-chlorophenyl)-2-[(2-methyl-1-piperidin-4-ylpropyl)amino]pyridine-3-carboxamide
CID 70071023
N-[2-[[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamoyl]phenyl]-N-pyridin-4-ylpiperidine-4-carboxamide;hydrochloride
CID 69350924
[(3R)-1-propan-2-ylpyrrolidin-3-yl] N-[2-[(5-chloro-2-pyridinyl)carbamoyl]phenyl]carbamate
CID 59101512
N-(5-chloro-2-pyridinyl)-2-[[(3R)-1-propan-2-ylpyrrolidin-3-yl]carbamoylamino]benzamide;hydrochloride
CID 157245051
N-(5-chloro-2-pyridinyl)-4-fluoro-2-methylbenzamide
CID 112702466
N-(5-chloro-2-pyridinyl)-2-methylbenzamide
CID 758009
N-(5-chloro-2-pyridinyl)-2-[[(2S)-2-ethoxypropanoyl]amino]benzamide
CID 95161224

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[2-(3-fluorophenyl)-1-piperidin-4-ylpropyl]amino]benzamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-[[2-(3-fluorophenyl)-1-piperidin-4-ylpropyl]amino]benzamide (CID 54529053) is N-(5-chloro-2-pyridinyl)-2-[[2-(3-fluorophenyl)-1-piperidin-4-ylpropyl]amino]benzamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-[[2-(3-fluorophenyl)-1-piperidin-4-ylpropyl]amino]benzamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-[[2-(3-fluorophenyl)-1-piperidin-4-ylpropyl]amino]benzamide is CC(c1cccc(F)c1)C(Nc1ccccc1C(=O)Nc1ccc(Cl)cn1)C1CCNCC1.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-[[2-(3-fluorophenyl)-1-piperidin-4-ylpropyl]amino]benzamide?
The InChIKey is YVELZBZNQVDZQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28ClFN4O/c1-17(19-5-4-6-21(28)15-19)25(18-11-13-29-14-12-18)31-23-8-3-2-7-22(23)26(33)32-24-10-9-20(27)16-30-24/h2-10,15-18,25,29,31H,11-14H2,1H3,(H,30,32,33).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-[[2-(3-fluorophenyl)-1-piperidin-4-ylpropyl]amino]benzamide?
N-(5-chloro-2-pyridinyl)-2-[[2-(3-fluorophenyl)-1-piperidin-4-ylpropyl]amino]benzamide has a molecular weight of 466.99 g/mol, XLogP of 5.71, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-[[2-(3-fluorophenyl)-1-piperidin-4-ylpropyl]amino]benzamide is sourced from PubChem (CID 54529053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).