4-[(1-phenylcyclopropanecarbonyl)amino]pyridine-2-carboxylic acid

C16H14N2O3 — CID 63650023

IUPAC4-[(1-phenylcyclopropanecarbonyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)C2(c3ccccc3)CC2)ccn1
InChIInChI=1S/C16H14N2O3/c19-14(20)13-10-12(6-9-17-13)18-15(21)16(7-8-16)11-4-2-1-3-5-11/h1-6,9-10H,7-8H2,(H,19,20)(H,17,18,21)
InChIKeyLMOUFAGWJPCGGP-UHFFFAOYSA-N
MW282.30 g/mol
LogP2.45
Rot. Bonds4

About 4-[(1-phenylcyclopropanecarbonyl)amino]pyridine-2-carboxylic acid

4-[(1-phenylcyclopropanecarbonyl)amino]pyridine-2-carboxylic acid (PubChem CID 63650023) has the molecular formula C16H14N2O3 and a molecular weight of 282.30 g/mol. Its IUPAC name is 4-[(1-phenylcyclopropanecarbonyl)amino]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name4-[(1-phenylcyclopropanecarbonyl)amino]pyridine-2-carboxylic acid
PubChem CID63650023
Molecular FormulaC16H14N2O3
Molecular Weight282.30 g/mol
Exact Mass282.10
IUPAC Name4-[(1-phenylcyclopropanecarbonyl)amino]pyridine-2-carboxylic acid
SMILESO=C(O)c1cc(NC(=O)C2(c3ccccc3)CC2)ccn1
InChIInChI=1S/C16H14N2O3/c19-14(20)13-10-12(6-9-17-13)18-15(21)16(7-8-16)11-4-2-1-3-5-11/h1-6,9-10H,7-8H2,(H,19,20)(H,17,18,21)
InChIKeyLMOUFAGWJPCGGP-UHFFFAOYSA-N
XLogP2.45
TPSA79.29 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(1-phenylcyclopropanecarbonyl)amino]pyridine-2-carboxylic acid?
The IUPAC name of 4-[(1-phenylcyclopropanecarbonyl)amino]pyridine-2-carboxylic acid (CID 63650023) is 4-[(1-phenylcyclopropanecarbonyl)amino]pyridine-2-carboxylic acid.
What is the SMILES notation for 4-[(1-phenylcyclopropanecarbonyl)amino]pyridine-2-carboxylic acid?
The canonical SMILES for 4-[(1-phenylcyclopropanecarbonyl)amino]pyridine-2-carboxylic acid is O=C(O)c1cc(NC(=O)C2(c3ccccc3)CC2)ccn1.
What is the InChIKey of 4-[(1-phenylcyclopropanecarbonyl)amino]pyridine-2-carboxylic acid?
The InChIKey is LMOUFAGWJPCGGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3/c19-14(20)13-10-12(6-9-17-13)18-15(21)16(7-8-16)11-4-2-1-3-5-11/h1-6,9-10H,7-8H2,(H,19,20)(H,17,18,21).
What are the key properties of 4-[(1-phenylcyclopropanecarbonyl)amino]pyridine-2-carboxylic acid?
4-[(1-phenylcyclopropanecarbonyl)amino]pyridine-2-carboxylic acid has a molecular weight of 282.30 g/mol, XLogP of 2.45, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1-phenylcyclopropanecarbonyl)amino]pyridine-2-carboxylic acid is sourced from PubChem (CID 63650023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).