2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid

C11H12N2O3 — CID 112532887

IUPAC2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CNC(=O)C2CC2)c1
InChIInChI=1S/C11H12N2O3/c14-10(7-1-2-7)13-6-9-5-8(11(15)16)3-4-12-9/h3-5,7H,1-2,6H2,(H,13,14)(H,15,16)
InChIKeyTZQSWYFDNVRQRO-UHFFFAOYSA-N
MW220.23 g/mol
LogP0.81
Rot. Bonds4

About 2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid

2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid (PubChem CID 112532887) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid
PubChem CID112532887
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid
SMILESO=C(O)c1ccnc(CNC(=O)C2CC2)c1
InChIInChI=1S/C11H12N2O3/c14-10(7-1-2-7)13-6-9-5-8(11(15)16)3-4-12-9/h3-5,7H,1-2,6H2,(H,13,14)(H,15,16)
InChIKeyTZQSWYFDNVRQRO-UHFFFAOYSA-N
XLogP0.81
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid?
The IUPAC name of 2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid (CID 112532887) is 2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid.
What is the SMILES notation for 2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid?
The canonical SMILES for 2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid is O=C(O)c1ccnc(CNC(=O)C2CC2)c1.
What is the InChIKey of 2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid?
The InChIKey is TZQSWYFDNVRQRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O3/c14-10(7-1-2-7)13-6-9-5-8(11(15)16)3-4-12-9/h3-5,7H,1-2,6H2,(H,13,14)(H,15,16).
What are the key properties of 2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid?
2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid has a molecular weight of 220.23 g/mol, XLogP of 0.81, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(cyclopropanecarbonylamino)methyl]pyridine-4-carboxylic acid is sourced from PubChem (CID 112532887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).