N-[(3-fluorophenyl)methyl]-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide

C26H28FN5O3 — CID 46084660

IUPACN-[(3-fluorophenyl)methyl]-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccnc2N2CCN(C(=O)NCc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C26H28FN5O3/c1-35-22-9-7-19(8-10-22)17-29-25(33)23-6-3-11-28-24(23)31-12-14-32(15-13-31)26(34)30-18-20-4-2-5-21(27)16-20/h2-11,16H,12-15,17-18H2,1H3,(H,29,33)(H,30,34)
InChIKeySPIKKTTWLBBBJL-UHFFFAOYSA-N
MW477.54 g/mol
LogP3.19
Rot. Bonds7

About N-[(3-fluorophenyl)methyl]-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide

N-[(3-fluorophenyl)methyl]-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 46084660) has the molecular formula C26H28FN5O3 and a molecular weight of 477.54 g/mol. Its IUPAC name is N-[(3-fluorophenyl)methyl]-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)methyl]-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
PubChem CID46084660
Molecular FormulaC26H28FN5O3
Molecular Weight477.54 g/mol
Exact Mass477.22
IUPAC NameN-[(3-fluorophenyl)methyl]-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
SMILESCOc1ccc(CNC(=O)c2cccnc2N2CCN(C(=O)NCc3cccc(F)c3)CC2)cc1
InChIInChI=1S/C26H28FN5O3/c1-35-22-9-7-19(8-10-22)17-29-25(33)23-6-3-11-28-24(23)31-12-14-32(15-13-31)26(34)30-18-20-4-2-5-21(27)16-20/h2-11,16H,12-15,17-18H2,1H3,(H,29,33)(H,30,34)
InChIKeySPIKKTTWLBBBJL-UHFFFAOYSA-N
XLogP3.19
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.54
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(3-fluorophenyl)methyl]-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide with MolForge

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Related Compounds

ethyl 4-[[4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carbonyl]amino]butanoate
CID 46084667
N-(2-chloro-5-methylphenyl)-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 46084656
N-[(3-methoxyphenyl)methyl]-4-[3-[[(2S)-oxolan-2-yl]methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide
CID 92761216
N-[(4-methoxyphenyl)methyl]-2-[4-(2-methylpentanoyl)piperazin-1-yl]pyridine-3-carboxamide
CID 46084391
[(2S)-1-[4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazin-1-yl]-1-oxopropan-2-yl] acetate
CID 46084330
N-[(4-methoxyphenyl)methyl]-4-pyrimidin-2-ylpiperazine-1-carboxamide
CID 27516864
2-[4-(benzylcarbamoyl)piperazin-1-yl]pyridine-3-carboxylic acid
CID 110397212
N-[(3-fluorophenyl)methyl]-4-[4-(4-methoxyphenyl)piperazin-1-yl]phthalazine-1-carboxamide
CID 42690905
N-[(4-methoxyphenyl)methyl]-2-(3-phenylpiperazin-1-yl)pyridine-3-carboxamide
CID 53180638
N-[(4-fluorophenyl)methyl]-2-piperidin-1-ylpyridine-3-carboxamide
CID 55755699
N-[2-(3-fluorophenyl)ethyl]-2-pyrrolidin-1-ylpyridine-3-carboxamide
CID 26996536
N-[[4-(2-methoxyethoxy)phenyl]methyl]-2-morpholin-4-ylpyridine-3-carboxamide
CID 55743673

Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)methyl]-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-[(3-fluorophenyl)methyl]-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide (CID 46084660) is N-[(3-fluorophenyl)methyl]-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(3-fluorophenyl)methyl]-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(3-fluorophenyl)methyl]-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide is COc1ccc(CNC(=O)c2cccnc2N2CCN(C(=O)NCc3cccc(F)c3)CC2)cc1.
What is the InChIKey of N-[(3-fluorophenyl)methyl]-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is SPIKKTTWLBBBJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN5O3/c1-35-22-9-7-19(8-10-22)17-29-25(33)23-6-3-11-28-24(23)31-12-14-32(15-13-31)26(34)30-18-20-4-2-5-21(27)16-20/h2-11,16H,12-15,17-18H2,1H3,(H,29,33)(H,30,34).
What are the key properties of N-[(3-fluorophenyl)methyl]-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide?
N-[(3-fluorophenyl)methyl]-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 477.54 g/mol, XLogP of 3.19, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)methyl]-4-[3-[(4-methoxyphenyl)methylcarbamoyl]-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 46084660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).