N-(5-bromo-2-pyridinyl)-1-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide

C22H26BrFN4O2 — CID 55922947

IUPACN-(5-bromo-2-pyridinyl)-1-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C22H26BrFN4O2/c1-2-28(14-16-4-3-5-19(24)12-16)21(29)15-27-10-8-17(9-11-27)22(30)26-20-7-6-18(23)13-25-20/h3-7,12-13,17H,2,8-11,14-15H2,1H3,(H,25,26,30)
InChIKeyYPCIHNDHETVWJB-UHFFFAOYSA-N
MW477.38 g/mol
LogP3.68
Rot. Bonds7

About N-(5-bromo-2-pyridinyl)-1-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide

N-(5-bromo-2-pyridinyl)-1-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide (PubChem CID 55922947) has the molecular formula C22H26BrFN4O2 and a molecular weight of 477.38 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-1-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-1-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide
PubChem CID55922947
Molecular FormulaC22H26BrFN4O2
Molecular Weight477.38 g/mol
Exact Mass476.12
IUPAC NameN-(5-bromo-2-pyridinyl)-1-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide
SMILESCCN(Cc1cccc(F)c1)C(=O)CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1
InChIInChI=1S/C22H26BrFN4O2/c1-2-28(14-16-4-3-5-19(24)12-16)21(29)15-27-10-8-17(9-11-27)22(30)26-20-7-6-18(23)13-25-20/h3-7,12-13,17H,2,8-11,14-15H2,1H3,(H,25,26,30)
InChIKeyYPCIHNDHETVWJB-UHFFFAOYSA-N
XLogP3.68
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.38
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-1-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide (CID 55922947) is N-(5-bromo-2-pyridinyl)-1-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-1-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-1-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide is CCN(Cc1cccc(F)c1)C(=O)CN1CCC(C(=O)Nc2ccc(Br)cn2)CC1.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-1-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
The InChIKey is YPCIHNDHETVWJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26BrFN4O2/c1-2-28(14-16-4-3-5-19(24)12-16)21(29)15-27-10-8-17(9-11-27)22(30)26-20-7-6-18(23)13-25-20/h3-7,12-13,17H,2,8-11,14-15H2,1H3,(H,25,26,30).
What are the key properties of N-(5-bromo-2-pyridinyl)-1-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide?
N-(5-bromo-2-pyridinyl)-1-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide has a molecular weight of 477.38 g/mol, XLogP of 3.68, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-bromo-2-pyridinyl)-1-[2-[ethyl-[(3-fluorophenyl)methyl]amino]-2-oxoethyl]piperidine-4-carboxamide is sourced from PubChem (CID 55922947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).