N-(5-bromo-2-pyridinyl)-2-[[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-methylamino]acetamide

C22H23BrN4O2 — CID 51135782

IUPACN-(5-bromo-2-pyridinyl)-2-[[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-methylamino]acetamide
SMILESCCN(C(=O)CN(C)CC(=O)Nc1ccc(Br)cn1)c1cccc2ccccc12
InChIInChI=1S/C22H23BrN4O2/c1-3-27(19-10-6-8-16-7-4-5-9-18(16)19)22(29)15-26(2)14-21(28)25-20-12-11-17(23)13-24-20/h4-13H,3,14-15H2,1-2H3,(H,24,25,28)
InChIKeyXWBKLNFUSVMVQZ-UHFFFAOYSA-N
MW455.36 g/mol
LogP3.92
Rot. Bonds7

About N-(5-bromo-2-pyridinyl)-2-[[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-methylamino]acetamide

N-(5-bromo-2-pyridinyl)-2-[[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-methylamino]acetamide (PubChem CID 51135782) has the molecular formula C22H23BrN4O2 and a molecular weight of 455.36 g/mol. Its IUPAC name is N-(5-bromo-2-pyridinyl)-2-[[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-methylamino]acetamide.

Molecular Properties

Compound NameN-(5-bromo-2-pyridinyl)-2-[[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-methylamino]acetamide
PubChem CID51135782
Molecular FormulaC22H23BrN4O2
Molecular Weight455.36 g/mol
Exact Mass454.10
IUPAC NameN-(5-bromo-2-pyridinyl)-2-[[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-methylamino]acetamide
SMILESCCN(C(=O)CN(C)CC(=O)Nc1ccc(Br)cn1)c1cccc2ccccc12
InChIInChI=1S/C22H23BrN4O2/c1-3-27(19-10-6-8-16-7-4-5-9-18(16)19)22(29)15-26(2)14-21(28)25-20-12-11-17(23)13-24-20/h4-13H,3,14-15H2,1-2H3,(H,24,25,28)
InChIKeyXWBKLNFUSVMVQZ-UHFFFAOYSA-N
XLogP3.92
TPSA65.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.36
LogP ≤ 53.92
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)-2-[[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-methylamino]acetamide?
The IUPAC name of N-(5-bromo-2-pyridinyl)-2-[[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-methylamino]acetamide (CID 51135782) is N-(5-bromo-2-pyridinyl)-2-[[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-methylamino]acetamide.
What is the SMILES notation for N-(5-bromo-2-pyridinyl)-2-[[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-methylamino]acetamide?
The canonical SMILES for N-(5-bromo-2-pyridinyl)-2-[[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-methylamino]acetamide is CCN(C(=O)CN(C)CC(=O)Nc1ccc(Br)cn1)c1cccc2ccccc12.
What is the InChIKey of N-(5-bromo-2-pyridinyl)-2-[[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-methylamino]acetamide?
The InChIKey is XWBKLNFUSVMVQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23BrN4O2/c1-3-27(19-10-6-8-16-7-4-5-9-18(16)19)22(29)15-26(2)14-21(28)25-20-12-11-17(23)13-24-20/h4-13H,3,14-15H2,1-2H3,(H,24,25,28).
What are the key properties of N-(5-bromo-2-pyridinyl)-2-[[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-methylamino]acetamide?
N-(5-bromo-2-pyridinyl)-2-[[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-methylamino]acetamide has a molecular weight of 455.36 g/mol, XLogP of 3.92, 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)-2-[[2-[ethyl(naphthalen-1-yl)amino]-2-oxoethyl]-methylamino]acetamide is sourced from PubChem (CID 51135782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).