1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid

C14H15N3O3 — CID 114957290

IUPAC1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCc1ccncc1CNC(=O)Cn1cccc1C(=O)O
InChIInChI=1S/C14H15N3O3/c1-10-4-5-15-7-11(10)8-16-13(18)9-17-6-2-3-12(17)14(19)20/h2-7H,8-9H2,1H3,(H,16,18)(H,19,20)
InChIKeyCUDFVLVSKVHQSF-UHFFFAOYSA-N
MW273.29 g/mol
LogP1.21
Rot. Bonds5

About 1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid

1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid (PubChem CID 114957290) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is 1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid.

Molecular Properties

Compound Name1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
PubChem CID114957290
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid
SMILESCc1ccncc1CNC(=O)Cn1cccc1C(=O)O
InChIInChI=1S/C14H15N3O3/c1-10-4-5-15-7-11(10)8-16-13(18)9-17-6-2-3-12(17)14(19)20/h2-7H,8-9H2,1H3,(H,16,18)(H,19,20)
InChIKeyCUDFVLVSKVHQSF-UHFFFAOYSA-N
XLogP1.21
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The IUPAC name of 1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid (CID 114957290) is 1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid.
What is the SMILES notation for 1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The canonical SMILES for 1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid is Cc1ccncc1CNC(=O)Cn1cccc1C(=O)O.
What is the InChIKey of 1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid?
The InChIKey is CUDFVLVSKVHQSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O3/c1-10-4-5-15-7-11(10)8-16-13(18)9-17-6-2-3-12(17)14(19)20/h2-7H,8-9H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid?
1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid has a molecular weight of 273.29 g/mol, XLogP of 1.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]pyrrole-2-carboxylic acid is sourced from PubChem (CID 114957290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).