1-[(3-methyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid

C18H21N3O2 — CID 5091843

IUPAC1-[(3-methyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid
SMILESCc1cccnc1C(c1cccnc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C18H21N3O2/c1-13-4-2-9-20-16(13)17(15-5-3-8-19-12-15)21-10-6-14(7-11-21)18(22)23/h2-5,8-9,12,14,17H,6-7,10-11H2,1H3,(H,22,23)
InChIKeyNHRGBUNNLAPNPK-UHFFFAOYSA-N
MW311.38 g/mol
LogP2.67
Rot. Bonds4

About 1-[(3-methyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid

1-[(3-methyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid (PubChem CID 5091843) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is 1-[(3-methyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid
PubChem CID5091843
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name1-[(3-methyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid
SMILESCc1cccnc1C(c1cccnc1)N1CCC(C(=O)O)CC1
InChIInChI=1S/C18H21N3O2/c1-13-4-2-9-20-16(13)17(15-5-3-8-19-12-15)21-10-6-14(7-11-21)18(22)23/h2-5,8-9,12,14,17H,6-7,10-11H2,1H3,(H,22,23)
InChIKeyNHRGBUNNLAPNPK-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

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Related Compounds

1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 3671647
1-[(3-methyl-4-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid
CID 4236669
1-[1-(3-methyl-2-pyridinyl)ethyl]piperidine-4-carboxylic acid
CID 5161805
1-(1-pyridin-3-ylethyl)piperidine-4-carboxylic acid
CID 4272805
1-[(5-chlorothiophen-2-yl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid
CID 5003314
1-[[2-chloro-5-(trifluoromethyl)phenyl]-(3-methyl-2-pyridinyl)methyl]piperidine-4-carboxylic acid
CID 4284841
1-[(2,5-dimethoxyphenyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid
CID 3968223
1-[(4-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 3630163
1-[pyridin-2-yl(pyridin-3-yl)methyl]piperidine-3-carboxylic acid
CID 5201610
1-[(5-methyl-2-pyridinyl)-pyridin-4-ylmethyl]piperidine-4-carboxylic acid
CID 4216734
1-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-3-carboxylic acid
CID 3884139
1-[(3-methyl-2-pyridinyl)-(3,4,5-trimethoxyphenyl)methyl]piperidine-3-carboxylic acid
CID 5026300

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid?
The IUPAC name of 1-[(3-methyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid (CID 5091843) is 1-[(3-methyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid.
What is the SMILES notation for 1-[(3-methyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid?
The canonical SMILES for 1-[(3-methyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid is Cc1cccnc1C(c1cccnc1)N1CCC(C(=O)O)CC1.
What is the InChIKey of 1-[(3-methyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid?
The InChIKey is NHRGBUNNLAPNPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-13-4-2-9-20-16(13)17(15-5-3-8-19-12-15)21-10-6-14(7-11-21)18(22)23/h2-5,8-9,12,14,17H,6-7,10-11H2,1H3,(H,22,23).
What are the key properties of 1-[(3-methyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-carboxylic acid?
1-[(3-methyl-2-pyridinyl)-pyridin-3-ylmethyl]piperidine-4-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-3-ylmethyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 5091843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).