1-[(3-methyl-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid

C18H21N3O2 — CID 4599942

IUPAC1-[(3-methyl-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(C(c2ncccc2C)N2CCCC2C(=O)O)nc1
InChIInChI=1S/C18H21N3O2/c1-12-7-8-14(20-11-12)17(16-13(2)5-3-9-19-16)21-10-4-6-15(21)18(22)23/h3,5,7-9,11,15,17H,4,6,10H2,1-2H3,(H,22,23)
InChIKeyGUARVYYVQQJZEQ-UHFFFAOYSA-N
MW311.39 g/mol
LogP2.73
Rot. Bonds4

About 1-[(3-methyl-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid

1-[(3-methyl-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid (PubChem CID 4599942) has the molecular formula C18H21N3O2 and a molecular weight of 311.39 g/mol. Its IUPAC name is 1-[(3-methyl-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name1-[(3-methyl-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
PubChem CID4599942
Molecular FormulaC18H21N3O2
Molecular Weight311.39 g/mol
Exact Mass311.16
IUPAC Name1-[(3-methyl-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
SMILESCc1ccc(C(c2ncccc2C)N2CCCC2C(=O)O)nc1
InChIInChI=1S/C18H21N3O2/c1-12-7-8-14(20-11-12)17(16-13(2)5-3-9-19-16)21-10-4-6-15(21)18(22)23/h3,5,7-9,11,15,17H,4,6,10H2,1-2H3,(H,22,23)
InChIKeyGUARVYYVQQJZEQ-UHFFFAOYSA-N
XLogP2.73
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.39
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

1-[(4-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 4543661
1-[(3,5-dimethylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 5222322
1-[(2-methylphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 3568468
1-[(3-methyl-2-pyridinyl)-(4-methylthiophen-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 4274900
1-[(5-methyl-2-pyridinyl)-(3-phenoxyphenyl)methyl]pyrrolidine-2-carboxylic acid
CID 3507995
1-[(2-bromophenyl)-(5-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 4527741
1-[(3-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid
CID 3595943
1-[(5-methyl-2-pyridinyl)-(5-methylthiophen-2-yl)methyl]piperidine-2-carboxylic acid
CID 5227467
1-[(2-methoxyphenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 5125172
1-[(3-bromophenyl)-(3-methyl-2-pyridinyl)methyl]piperidine-2-carboxylic acid
CID 4579065
1-(dipyridin-2-ylmethyl)pyrrolidine-2-carboxylic acid
CID 3571659
1-[1-(3-methyl-2-pyridinyl)propyl]piperidine-2-carboxylic acid
CID 3565733

Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
The IUPAC name of 1-[(3-methyl-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid (CID 4599942) is 1-[(3-methyl-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid.
What is the SMILES notation for 1-[(3-methyl-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
The canonical SMILES for 1-[(3-methyl-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid is Cc1ccc(C(c2ncccc2C)N2CCCC2C(=O)O)nc1.
What is the InChIKey of 1-[(3-methyl-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
The InChIKey is GUARVYYVQQJZEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-12-7-8-14(20-11-12)17(16-13(2)5-3-9-19-16)21-10-4-6-15(21)18(22)23/h3,5,7-9,11,15,17H,4,6,10H2,1-2H3,(H,22,23).
What are the key properties of 1-[(3-methyl-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid?
1-[(3-methyl-2-pyridinyl)-(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid has a molecular weight of 311.39 g/mol, XLogP of 2.73, 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)-(5-methyl-2-pyridinyl)methyl]pyrrolidine-2-carboxylic acid is sourced from PubChem (CID 4599942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).