methyl 2-[[5-(2-ethylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate

C21H25N3O3 — CID 109240657

IUPACmethyl 2-[[5-(2-ethylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate
SMILESCCC1CCCCN1c1cncc(C(=O)Nc2ccccc2C(=O)OC)c1
InChIInChI=1S/C21H25N3O3/c1-3-16-8-6-7-11-24(16)17-12-15(13-22-14-17)20(25)23-19-10-5-4-9-18(19)21(26)27-2/h4-5,9-10,12-14,16H,3,6-8,11H2,1-2H3,(H,23,25)
InChIKeyCKURIGKMTHSHHL-UHFFFAOYSA-N
MW367.45 g/mol
LogP3.89
Rot. Bonds5

About methyl 2-[[5-(2-ethylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate

methyl 2-[[5-(2-ethylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate (PubChem CID 109240657) has the molecular formula C21H25N3O3 and a molecular weight of 367.45 g/mol. Its IUPAC name is methyl 2-[[5-(2-ethylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 2-[[5-(2-ethylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate
PubChem CID109240657
Molecular FormulaC21H25N3O3
Molecular Weight367.45 g/mol
Exact Mass367.19
IUPAC Namemethyl 2-[[5-(2-ethylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate
SMILESCCC1CCCCN1c1cncc(C(=O)Nc2ccccc2C(=O)OC)c1
InChIInChI=1S/C21H25N3O3/c1-3-16-8-6-7-11-24(16)17-12-15(13-22-14-17)20(25)23-19-10-5-4-9-18(19)21(26)27-2/h4-5,9-10,12-14,16H,3,6-8,11H2,1-2H3,(H,23,25)
InChIKeyCKURIGKMTHSHHL-UHFFFAOYSA-N
XLogP3.89
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.45
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dichlorophenyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109240680
N-(2,6-dimethylphenyl)-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109240615
N-benzyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109231683
5-(2-ethylpiperidin-1-yl)-N-(4-piperidin-1-ylphenyl)pyridine-3-carboxamide
CID 109240663
N-cyclopentyl-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109225954
N-[4-(diethylamino)phenyl]-5-(2-ethylpiperidin-1-yl)pyridine-3-carboxamide
CID 109240661
methyl 2-[[5-(cyclopentylamino)pyridine-3-carbonyl]amino]benzoate
CID 109226206
5-(2-ethylpiperidine-1-carbonyl)-N-(2-methoxyphenyl)pyridine-3-carboxamide
CID 109107451
5-(2-ethylpiperidin-1-yl)-N-(3-methylbutyl)pyridine-3-carboxamide
CID 109239784
[5-(2-ethylpiperidin-1-yl)-3-pyridinyl]-(4-phenylpiperazin-1-yl)methanone
CID 109237515
methyl 2-[[5-(cyclopropylamino)pyridine-3-carbonyl]amino]benzoate
CID 109223896
ethyl 2-[(5-morpholin-4-ylpyridine-3-carbonyl)amino]benzoate
CID 109228723

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-(2-ethylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate?
The IUPAC name of methyl 2-[[5-(2-ethylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate (CID 109240657) is methyl 2-[[5-(2-ethylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 2-[[5-(2-ethylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate?
The canonical SMILES for methyl 2-[[5-(2-ethylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate is CCC1CCCCN1c1cncc(C(=O)Nc2ccccc2C(=O)OC)c1.
What is the InChIKey of methyl 2-[[5-(2-ethylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate?
The InChIKey is CKURIGKMTHSHHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3/c1-3-16-8-6-7-11-24(16)17-12-15(13-22-14-17)20(25)23-19-10-5-4-9-18(19)21(26)27-2/h4-5,9-10,12-14,16H,3,6-8,11H2,1-2H3,(H,23,25).
What are the key properties of methyl 2-[[5-(2-ethylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate?
methyl 2-[[5-(2-ethylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate has a molecular weight of 367.45 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-(2-ethylpiperidin-1-yl)pyridine-3-carbonyl]amino]benzoate is sourced from PubChem (CID 109240657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).