1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide

C23H23BrN4O3 — CID 55971095

IUPAC1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NC(=O)COc3ccc4ccccc4c3Br)cn2)C1
InChIInChI=1S/C23H23BrN4O3/c24-22-18-6-2-1-4-15(18)7-9-19(22)31-14-21(29)27-17-8-10-20(26-12-17)28-11-3-5-16(13-28)23(25)30/h1-2,4,6-10,12,16H,3,5,11,13-14H2,(H2,25,30)(H,27,29)
InChIKeyZDYOUWFIEPWTQU-UHFFFAOYSA-N
MW483.37 g/mol
LogP3.72
Rot. Bonds6

About 1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide

1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide (PubChem CID 55971095) has the molecular formula C23H23BrN4O3 and a molecular weight of 483.37 g/mol. Its IUPAC name is 1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
PubChem CID55971095
Molecular FormulaC23H23BrN4O3
Molecular Weight483.37 g/mol
Exact Mass482.10
IUPAC Name1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
SMILESNC(=O)C1CCCN(c2ccc(NC(=O)COc3ccc4ccccc4c3Br)cn2)C1
InChIInChI=1S/C23H23BrN4O3/c24-22-18-6-2-1-4-15(18)7-9-19(22)31-14-21(29)27-17-8-10-20(26-12-17)28-11-3-5-16(13-28)23(25)30/h1-2,4,6-10,12,16H,3,5,11,13-14H2,(H2,25,30)(H,27,29)
InChIKeyZDYOUWFIEPWTQU-UHFFFAOYSA-N
XLogP3.72
TPSA97.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.37
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide with MolForge

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Related Compounds

1-[5-(4-naphthalen-1-yloxybutanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 55970974
1-[5-[[2-(2,5-dichlorophenoxy)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700759
1-[5-[(2-bromobenzoyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967635
(3S)-1-[5-(3-cyclopentylpropanoylamino)-2-pyridinyl]piperidine-3-carboxamide
CID 95312803
1-[5-[[2-[4-(2-oxopyrrolidin-1-yl)phenoxy]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55970199
1-[5-[[2-[2-(trifluoromethyl)benzimidazol-1-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701217
1-[5-[[2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700880
1-[5-[[2-(2-ethylbenzimidazol-1-yl)acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55967771
1-[5-[[2-[2-(3,4-dimethoxyphenyl)-1,3-thiazol-4-yl]acetyl]amino]-2-pyridinyl]piperidine-3-carboxamide
CID 55701063
1-[5-[3-(3-oxo-1,4-benzoxazin-4-yl)propanoylamino]-2-pyridinyl]piperidine-3-carboxamide
CID 55700912
1-[5-[(2-imidazo[2,1-b][1,3]thiazol-6-ylacetyl)amino]-2-pyridinyl]piperidine-3-carboxamide
CID 87046204
N-[6-(3-carbamoylpiperidin-1-yl)-3-pyridinyl]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide
CID 55968536

Frequently Asked Questions

What is the IUPAC name of 1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The IUPAC name of 1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide (CID 55971095) is 1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The canonical SMILES for 1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide is NC(=O)C1CCCN(c2ccc(NC(=O)COc3ccc4ccccc4c3Br)cn2)C1.
What is the InChIKey of 1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
The InChIKey is ZDYOUWFIEPWTQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23BrN4O3/c24-22-18-6-2-1-4-15(18)7-9-19(22)31-14-21(29)27-17-8-10-20(26-12-17)28-11-3-5-16(13-28)23(25)30/h1-2,4,6-10,12,16H,3,5,11,13-14H2,(H2,25,30)(H,27,29).
What are the key properties of 1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide?
1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide has a molecular weight of 483.37 g/mol, XLogP of 3.72, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[[2-(1-bromonaphthalen-2-yl)oxyacetyl]amino]-2-pyridinyl]piperidine-3-carboxamide is sourced from PubChem (CID 55971095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).