5-piperidin-4-yl-3-pyridin-2-ylcinnoline-8-carboxamide

C19H19N5O — CID 175839054

IUPAC5-piperidin-4-yl-3-pyridin-2-ylcinnoline-8-carboxamide
SMILESNC(=O)c1ccc(C2CCNCC2)c2cc(-c3ccccn3)nnc12
InChIInChI=1S/C19H19N5O/c20-19(25)14-5-4-13(12-6-9-21-10-7-12)15-11-17(23-24-18(14)15)16-3-1-2-8-22-16/h1-5,8,11-12,21H,6-7,9-10H2,(H2,20,25)
InChIKeyMTFBZIGAAIKKMA-UHFFFAOYSA-N
MW333.40 g/mol
LogP2.26
Rot. Bonds3

About 5-piperidin-4-yl-3-pyridin-2-ylcinnoline-8-carboxamide

5-piperidin-4-yl-3-pyridin-2-ylcinnoline-8-carboxamide (PubChem CID 175839054) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is 5-piperidin-4-yl-3-pyridin-2-ylcinnoline-8-carboxamide.

Molecular Properties

Compound Name5-piperidin-4-yl-3-pyridin-2-ylcinnoline-8-carboxamide
PubChem CID175839054
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name5-piperidin-4-yl-3-pyridin-2-ylcinnoline-8-carboxamide
SMILESNC(=O)c1ccc(C2CCNCC2)c2cc(-c3ccccn3)nnc12
InChIInChI=1S/C19H19N5O/c20-19(25)14-5-4-13(12-6-9-21-10-7-12)15-11-17(23-24-18(14)15)16-3-1-2-8-22-16/h1-5,8,11-12,21H,6-7,9-10H2,(H2,20,25)
InChIKeyMTFBZIGAAIKKMA-UHFFFAOYSA-N
XLogP2.26
TPSA93.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-piperidin-4-yl-3-pyridin-2-ylcinnoline-8-carboxamide?
The IUPAC name of 5-piperidin-4-yl-3-pyridin-2-ylcinnoline-8-carboxamide (CID 175839054) is 5-piperidin-4-yl-3-pyridin-2-ylcinnoline-8-carboxamide.
What is the SMILES notation for 5-piperidin-4-yl-3-pyridin-2-ylcinnoline-8-carboxamide?
The canonical SMILES for 5-piperidin-4-yl-3-pyridin-2-ylcinnoline-8-carboxamide is NC(=O)c1ccc(C2CCNCC2)c2cc(-c3ccccn3)nnc12.
What is the InChIKey of 5-piperidin-4-yl-3-pyridin-2-ylcinnoline-8-carboxamide?
The InChIKey is MTFBZIGAAIKKMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O/c20-19(25)14-5-4-13(12-6-9-21-10-7-12)15-11-17(23-24-18(14)15)16-3-1-2-8-22-16/h1-5,8,11-12,21H,6-7,9-10H2,(H2,20,25).
What are the key properties of 5-piperidin-4-yl-3-pyridin-2-ylcinnoline-8-carboxamide?
5-piperidin-4-yl-3-pyridin-2-ylcinnoline-8-carboxamide has a molecular weight of 333.40 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperidin-4-yl-3-pyridin-2-ylcinnoline-8-carboxamide is sourced from PubChem (CID 175839054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).