1-[(5-ethyl-2-pyridinyl)-naphthalen-1-ylmethyl]pyrrolidine-2-carboxylic acid

C23H24N2O2 — CID 4042220

IUPAC1-[(5-ethyl-2-pyridinyl)-naphthalen-1-ylmethyl]pyrrolidine-2-carboxylic acid
SMILESCCc1ccc(C(c2cccc3ccccc23)N2CCCC2C(=O)O)nc1
InChIInChI=1S/C23H24N2O2/c1-2-16-12-13-20(24-15-16)22(25-14-6-11-21(25)23(26)27)19-10-5-8-17-7-3-4-9-18(17)19/h3-5,7-10,12-13,15,21-22H,2,6,11,14H2,1H3,(H,26,27)
InChIKeyMJMIAPAUGSPSTE-UHFFFAOYSA-N
MW360.46 g/mol
LogP4.44
Rot. Bonds5

About 1-[(5-ethyl-2-pyridinyl)-naphthalen-1-ylmethyl]pyrrolidine-2-carboxylic acid

1-[(5-ethyl-2-pyridinyl)-naphthalen-1-ylmethyl]pyrrolidine-2-carboxylic acid (PubChem CID 4042220) has the molecular formula C23H24N2O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is 1-[(5-ethyl-2-pyridinyl)-naphthalen-1-ylmethyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-ethyl-2-pyridinyl)-naphthalen-1-ylmethyl]pyrrolidine-2-carboxylic acid
PubChem CID4042220
Molecular FormulaC23H24N2O2
Molecular Weight360.46 g/mol
Exact Mass360.18
IUPAC Name1-[(5-ethyl-2-pyridinyl)-naphthalen-1-ylmethyl]pyrrolidine-2-carboxylic acid
SMILESCCc1ccc(C(c2cccc3ccccc23)N2CCCC2C(=O)O)nc1
InChIInChI=1S/C23H24N2O2/c1-2-16-12-13-20(24-15-16)22(25-14-6-11-21(25)23(26)27)19-10-5-8-17-7-3-4-9-18(17)19/h3-5,7-10,12-13,15,21-22H,2,6,11,14H2,1H3,(H,26,27)
InChIKeyMJMIAPAUGSPSTE-UHFFFAOYSA-N
XLogP4.44
TPSA53.43 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 3442672
1-[(3-chlorophenyl)-(5-ethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 3349109
1-[(5-ethyl-2-pyridinyl)-quinolin-3-ylmethyl]piperidine-2-carboxylic acid
CID 5125163
1-[(5-ethyl-2-pyridinyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 3978336
1-[(5-ethyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid
CID 4261190
1-[naphthalen-1-yl(quinolin-3-yl)methyl]pyrrolidine-2-carboxylic acid
CID 3945509
1-[(4-methylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid
CID 3938794
1-[(2-bromophenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid
CID 3481249
1-[1-benzothiophen-2-yl(naphthalen-1-yl)methyl]piperidine-2-carboxylic acid
CID 4542045
1-[(5-bromothiophen-2-yl)-naphthalen-1-ylmethyl]pyrrolidine-2-carboxylic acid
CID 5211715
1-[(2-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 4527741
1-[(4-methylsulfanylphenyl)-naphthalen-1-ylmethyl]piperidine-2-carboxylic acid
CID 3991262

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-2-pyridinyl)-naphthalen-1-ylmethyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(5-ethyl-2-pyridinyl)-naphthalen-1-ylmethyl]pyrrolidine-2-carboxylic acid (CID 4042220) is 1-[(5-ethyl-2-pyridinyl)-naphthalen-1-ylmethyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(5-ethyl-2-pyridinyl)-naphthalen-1-ylmethyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(5-ethyl-2-pyridinyl)-naphthalen-1-ylmethyl]pyrrolidine-2-carboxylic acid is CCc1ccc(C(c2cccc3ccccc23)N2CCCC2C(=O)O)nc1.
What is the InChIKey of 1-[(5-ethyl-2-pyridinyl)-naphthalen-1-ylmethyl]pyrrolidine-2-carboxylic acid?
The InChIKey is MJMIAPAUGSPSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O2/c1-2-16-12-13-20(24-15-16)22(25-14-6-11-21(25)23(26)27)19-10-5-8-17-7-3-4-9-18(17)19/h3-5,7-10,12-13,15,21-22H,2,6,11,14H2,1H3,(H,26,27).
What are the key properties of 1-[(5-ethyl-2-pyridinyl)-naphthalen-1-ylmethyl]pyrrolidine-2-carboxylic acid?
1-[(5-ethyl-2-pyridinyl)-naphthalen-1-ylmethyl]pyrrolidine-2-carboxylic acid has a molecular weight of 360.46 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-2-pyridinyl)-naphthalen-1-ylmethyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 4042220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).