6-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

C17H20N4O — CID 95825804

IUPAC6-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cccc(C2CCNCC2)n1
InChIInChI=1S/C17H20N4O/c22-17(20-12-13-3-2-8-19-11-13)16-5-1-4-15(21-16)14-6-9-18-10-7-14/h1-5,8,11,14,18H,6-7,9-10,12H2,(H,20,22)
InChIKeyZRGRIXUTTDVZFH-UHFFFAOYSA-N
MW296.37 g/mol
LogP1.87
Rot. Bonds4

About 6-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide

6-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (PubChem CID 95825804) has the molecular formula C17H20N4O and a molecular weight of 296.37 g/mol. Its IUPAC name is 6-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name6-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
PubChem CID95825804
Molecular FormulaC17H20N4O
Molecular Weight296.37 g/mol
Exact Mass296.16
IUPAC Name6-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
SMILESO=C(NCc1cccnc1)c1cccc(C2CCNCC2)n1
InChIInChI=1S/C17H20N4O/c22-17(20-12-13-3-2-8-19-11-13)16-5-1-4-15(21-16)14-6-9-18-10-7-14/h1-5,8,11,14,18H,6-7,9-10,12H2,(H,20,22)
InChIKeyZRGRIXUTTDVZFH-UHFFFAOYSA-N
XLogP1.87
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
N-(pyridin-3-ylmethyl)-2-(pyridin-3-ylmethylamino)pyrimidine-4-carboxamide
CID 109307168
2-N-prop-2-enyl-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109094037
dicopper;methanol;bis(6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylate);dichloride;pentahydrate
CID 139158103
2-N-[2-(dimethylamino)ethyl]-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109096293
6-N-(2,6-dimethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098258
N-(pyridin-3-ylmethyl)-2-(pyridin-4-ylmethylamino)pyrimidine-4-carboxamide
CID 109307312
6-(3-aminophenyl)-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide
CID 117083141
2-[(4-fluorophenyl)methylamino]-N-(pyridin-3-ylmethyl)pyrimidine-4-carboxamide
CID 109305502
2-N-(3-methoxypropyl)-6-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109095843
6-N-(2,6-diethylphenyl)-2-N-(pyridin-3-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098267
N-propyl-6-(pyridin-3-ylmethylamino)pyridine-2-carboxamide
CID 117080375

Frequently Asked Questions

What is the IUPAC name of 6-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The IUPAC name of 6-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide (CID 95825804) is 6-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide.
What is the SMILES notation for 6-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The canonical SMILES for 6-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is O=C(NCc1cccnc1)c1cccc(C2CCNCC2)n1.
What is the InChIKey of 6-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
The InChIKey is ZRGRIXUTTDVZFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O/c22-17(20-12-13-3-2-8-19-11-13)16-5-1-4-15(21-16)14-6-9-18-10-7-14/h1-5,8,11,14,18H,6-7,9-10,12H2,(H,20,22).
What are the key properties of 6-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide?
6-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide has a molecular weight of 296.37 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-piperidin-4-yl-N-(pyridin-3-ylmethyl)pyridine-2-carboxamide is sourced from PubChem (CID 95825804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).