N-[(2-fluorophenyl)methyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide

C20H24FN5O3 — CID 46084601

IUPACN-[(2-fluorophenyl)methyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide
SMILESCOCC(=O)Nc1ccc(N2CCN(C(=O)NCc3ccccc3F)CC2)nc1
InChIInChI=1S/C20H24FN5O3/c1-29-14-19(27)24-16-6-7-18(22-13-16)25-8-10-26(11-9-25)20(28)23-12-15-4-2-3-5-17(15)21/h2-7,13H,8-12,14H2,1H3,(H,23,28)(H,24,27)
InChIKeyBYGKAUBDGIBELF-UHFFFAOYSA-N
MW401.44 g/mol
LogP1.84
Rot. Bonds6

About N-[(2-fluorophenyl)methyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide

N-[(2-fluorophenyl)methyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide (PubChem CID 46084601) has the molecular formula C20H24FN5O3 and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide
PubChem CID46084601
Molecular FormulaC20H24FN5O3
Molecular Weight401.44 g/mol
Exact Mass401.19
IUPAC NameN-[(2-fluorophenyl)methyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide
SMILESCOCC(=O)Nc1ccc(N2CCN(C(=O)NCc3ccccc3F)CC2)nc1
InChIInChI=1S/C20H24FN5O3/c1-29-14-19(27)24-16-6-7-18(22-13-16)25-8-10-26(11-9-25)20(28)23-12-15-4-2-3-5-17(15)21/h2-7,13H,8-12,14H2,1H3,(H,23,28)(H,24,27)
InChIKeyBYGKAUBDGIBELF-UHFFFAOYSA-N
XLogP1.84
TPSA86.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(2-fluorophenyl)methyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide (CID 46084601) is N-[(2-fluorophenyl)methyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide is COCC(=O)Nc1ccc(N2CCN(C(=O)NCc3ccccc3F)CC2)nc1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide?
The InChIKey is BYGKAUBDGIBELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24FN5O3/c1-29-14-19(27)24-16-6-7-18(22-13-16)25-8-10-26(11-9-25)20(28)23-12-15-4-2-3-5-17(15)21/h2-7,13H,8-12,14H2,1H3,(H,23,28)(H,24,27).
What are the key properties of N-[(2-fluorophenyl)methyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide?
N-[(2-fluorophenyl)methyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide has a molecular weight of 401.44 g/mol, XLogP of 1.84, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-4-[5-[(2-methoxyacetyl)amino]-2-pyridinyl]piperazine-1-carboxamide is sourced from PubChem (CID 46084601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).