6-[[3-cyclopentyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoyl]amino]pyridine-3-carboxylic acid

C26H26N4O4 — CID 10298123

IUPAC6-[[3-cyclopentyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)C(CC2CCCC2)c2ccc(NC(=O)c3cccnc3)cc2)nc1
InChIInChI=1S/C26H26N4O4/c31-24(19-6-3-13-27-15-19)29-21-10-7-18(8-11-21)22(14-17-4-1-2-5-17)25(32)30-23-12-9-20(16-28-23)26(33)34/h3,6-13,15-17,22H,1-2,4-5,14H2,(H,29,31)(H,33,34)(H,28,30,32)
InChIKeyRDTIZNBZTODHGQ-UHFFFAOYSA-N
MW458.52 g/mol
LogP4.73
Rot. Bonds8

About 6-[[3-cyclopentyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoyl]amino]pyridine-3-carboxylic acid

6-[[3-cyclopentyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoyl]amino]pyridine-3-carboxylic acid (PubChem CID 10298123) has the molecular formula C26H26N4O4 and a molecular weight of 458.52 g/mol. Its IUPAC name is 6-[[3-cyclopentyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoyl]amino]pyridine-3-carboxylic acid.

Molecular Properties

Compound Name6-[[3-cyclopentyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoyl]amino]pyridine-3-carboxylic acid
PubChem CID10298123
Molecular FormulaC26H26N4O4
Molecular Weight458.52 g/mol
Exact Mass458.20
IUPAC Name6-[[3-cyclopentyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoyl]amino]pyridine-3-carboxylic acid
SMILESO=C(O)c1ccc(NC(=O)C(CC2CCCC2)c2ccc(NC(=O)c3cccnc3)cc2)nc1
InChIInChI=1S/C26H26N4O4/c31-24(19-6-3-13-27-15-19)29-21-10-7-18(8-11-21)22(14-17-4-1-2-5-17)25(32)30-23-12-9-20(16-28-23)26(33)34/h3,6-13,15-17,22H,1-2,4-5,14H2,(H,29,31)(H,33,34)(H,28,30,32)
InChIKeyRDTIZNBZTODHGQ-UHFFFAOYSA-N
XLogP4.73
TPSA121.28 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.52
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-[[3-cyclopentyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoyl]amino]pyridine-3-carboxylic acid?
The IUPAC name of 6-[[3-cyclopentyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoyl]amino]pyridine-3-carboxylic acid (CID 10298123) is 6-[[3-cyclopentyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoyl]amino]pyridine-3-carboxylic acid.
What is the SMILES notation for 6-[[3-cyclopentyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoyl]amino]pyridine-3-carboxylic acid?
The canonical SMILES for 6-[[3-cyclopentyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoyl]amino]pyridine-3-carboxylic acid is O=C(O)c1ccc(NC(=O)C(CC2CCCC2)c2ccc(NC(=O)c3cccnc3)cc2)nc1.
What is the InChIKey of 6-[[3-cyclopentyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoyl]amino]pyridine-3-carboxylic acid?
The InChIKey is RDTIZNBZTODHGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4/c31-24(19-6-3-13-27-15-19)29-21-10-7-18(8-11-21)22(14-17-4-1-2-5-17)25(32)30-23-12-9-20(16-28-23)26(33)34/h3,6-13,15-17,22H,1-2,4-5,14H2,(H,29,31)(H,33,34)(H,28,30,32).
What are the key properties of 6-[[3-cyclopentyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoyl]amino]pyridine-3-carboxylic acid?
6-[[3-cyclopentyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoyl]amino]pyridine-3-carboxylic acid has a molecular weight of 458.52 g/mol, XLogP of 4.73, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[3-cyclopentyl-2-[4-(pyridine-3-carbonylamino)phenyl]propanoyl]amino]pyridine-3-carboxylic acid is sourced from PubChem (CID 10298123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).