1-[(5-ethyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid

C19H23N3O2 — CID 4261190

IUPAC1-[(5-ethyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid
SMILESCCc1ccc(C(c2cccnc2)N2CCCCC2C(=O)O)nc1
InChIInChI=1S/C19H23N3O2/c1-2-14-8-9-16(21-12-14)18(15-6-5-10-20-13-15)22-11-4-3-7-17(22)19(23)24/h5-6,8-10,12-13,17-18H,2-4,7,11H2,1H3,(H,23,24)
InChIKeyVGXJLBNESAXSCR-UHFFFAOYSA-N
MW325.41 g/mol
LogP3.07
Rot. Bonds5

About 1-[(5-ethyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid

1-[(5-ethyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid (PubChem CID 4261190) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 1-[(5-ethyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(5-ethyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid
PubChem CID4261190
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name1-[(5-ethyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid
SMILESCCc1ccc(C(c2cccnc2)N2CCCCC2C(=O)O)nc1
InChIInChI=1S/C19H23N3O2/c1-2-14-8-9-16(21-12-14)18(15-6-5-10-20-13-15)22-11-4-3-7-17(22)19(23)24/h5-6,8-10,12-13,17-18H,2-4,7,11H2,1H3,(H,23,24)
InChIKeyVGXJLBNESAXSCR-UHFFFAOYSA-N
XLogP3.07
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(5-ethyl-2-pyridinyl)-(3-methylphenyl)methyl]piperidine-2-carboxylic acid
CID 3978336
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)-naphthalen-1-ylmethyl]pyrrolidine-2-carboxylic acid
CID 4042220
1-[(2,5-dimethylphenyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid
CID 3942508
1-[(2,3-dimethoxyphenyl)-(5-ethyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 3442672
1-[(4-methylthiophen-2-yl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid
CID 3990100
1-[1-benzothiophen-2-yl(pyridin-3-yl)methyl]piperidine-2-carboxylic acid
CID 4290009
1-[(2-chlorophenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 5160603
1-[(2-phenylmethoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 4209343
1-[pyridin-3-yl(thiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 4660480
1-[(4-ethoxy-3-methoxyphenyl)-pyridin-3-ylmethyl]pyrrolidine-2-carboxylic acid
CID 3899211

Frequently Asked Questions

What is the IUPAC name of 1-[(5-ethyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid?
The IUPAC name of 1-[(5-ethyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid (CID 4261190) is 1-[(5-ethyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid.
What is the SMILES notation for 1-[(5-ethyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid?
The canonical SMILES for 1-[(5-ethyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid is CCc1ccc(C(c2cccnc2)N2CCCCC2C(=O)O)nc1.
What is the InChIKey of 1-[(5-ethyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid?
The InChIKey is VGXJLBNESAXSCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-2-14-8-9-16(21-12-14)18(15-6-5-10-20-13-15)22-11-4-3-7-17(22)19(23)24/h5-6,8-10,12-13,17-18H,2-4,7,11H2,1H3,(H,23,24).
What are the key properties of 1-[(5-ethyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid?
1-[(5-ethyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid has a molecular weight of 325.41 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5-ethyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-2-carboxylic acid is sourced from PubChem (CID 4261190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).