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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Related Compounds

5-(1-methylpiperidin-4-yl)-3-pyridin-2-ylcinnoline-8-carboxamide
CID 175838933
3-piperidin-4-ylpyridine-2-carboxamide;hydrochloride
CID 178067188
2-piperidin-4-ylquinoline-8-carboxamide
CID 175300888
6-pyridin-2-ylpyridine-2-carboxamide
CID 12055775
1,2-dimethyl-5-pyridin-2-ylpyrrole-3-carboxamide
CID 116828513
2-pyridin-2-yl-1H-benzimidazole-4-carboxamide
CID 5274836
5-phenyl-3-piperidin-4-yl-2H-pyrazolo[4,3-b]pyridine-7-carboxamide
CID 24851785
2-methyl-6-piperidin-4-ylbenzamide
CID 174505124
2-(azepan-4-yl)-1H-benzimidazole-4-carboxamide
CID 25190722
pyridin-2-yl piperidine-4-carboxylate;hydrochloride
CID 174342486
benzene-1,2-dicarboxamide;piperazine
CID 159137360
1-[4-(benzylamino)-5-piperidin-4-ylpyrimidin-2-yl]-2-methylindole-4-carboxamide
CID 118141179

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).