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

C18H21N3O2 — CID 3494421

IUPAC1-[(3-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
SMILESCc1cccnc1C(c1ccccn1)N1CCCC(C(=O)O)C1
InChIInChI=1S/C18H21N3O2/c1-13-6-4-10-20-16(13)17(15-8-2-3-9-19-15)21-11-5-7-14(12-21)18(22)23/h2-4,6,8-10,14,17H,5,7,11-12H2,1H3,(H,22,23)
InChIKeyKZPWCDKETRVOKA-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.67
Rot. Bonds4

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

1-[(3-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid (PubChem CID 3494421) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-[(3-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
PubChem CID3494421
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1-[(3-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
SMILESCc1cccnc1C(c1ccccn1)N1CCCC(C(=O)O)C1
InChIInChI=1S/C18H21N3O2/c1-13-6-4-10-20-16(13)17(15-8-2-3-9-19-15)21-11-5-7-14(12-21)18(22)23/h2-4,6,8-10,14,17H,5,7,11-12H2,1H3,(H,22,23)
InChIKeyKZPWCDKETRVOKA-UHFFFAOYSA-N
XLogP2.67
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 3884139
1-[pyridin-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 5201610
1-[(4-propan-2-ylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 4595447
1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 3630163
1-[(3-methyl-2-pyridinyl)-naphthalen-1-ylmethyl]piperidine-3-carboxylic acid
CID 3631451
1-[(4-bromophenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 4266233
1-[(4-methylsulfanylphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 4271286
1-[(5-methylthiophen-2-yl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 4299177
1-[(3-methyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 5026300
1-[(5-bromo-2-ethoxyphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 3535376
1-[(3-methoxy-4-phenylmethoxyphenyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid
CID 3887365
1-[1-(3-methyl-2-pyridinyl)ethyl]piperidine-4-carboxylic acid
CID 5161805

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[(3-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid (CID 3494421) is 1-[(3-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[(3-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[(3-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid is Cc1cccnc1C(c1ccccn1)N1CCCC(C(=O)O)C1.
What is the InChIKey of 1-[(3-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid?
The InChIKey is KZPWCDKETRVOKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-6-4-10-20-16(13)17(15-8-2-3-9-19-15)21-11-5-7-14(12-21)18(22)23/h2-4,6,8-10,14,17H,5,7,11-12H2,1H3,(H,22,23).
What are the key properties of 1-[(3-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid?
1-[(3-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid has a molecular weight of 311.38 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-2-pyridinyl)-pyridin-2-ylmethyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 3494421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).