6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid

C18H20N4O3 — CID 122053589

IUPAC6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(C(=O)NCc3cccnc3)CC2)n1
InChIInChI=1S/C18H20N4O3/c23-17(20-12-13-3-2-8-19-11-13)14-6-9-22(10-7-14)16-5-1-4-15(21-16)18(24)25/h1-5,8,11,14H,6-7,9-10,12H2,(H,20,23)(H,24,25)
InChIKeyYJDDHGPZDKEAEO-UHFFFAOYSA-N
MW340.38 g/mol
LogP1.71
Rot. Bonds5

About 6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid

6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid (PubChem CID 122053589) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid
PubChem CID122053589
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid
SMILESO=C(O)c1cccc(N2CCC(C(=O)NCc3cccnc3)CC2)n1
InChIInChI=1S/C18H20N4O3/c23-17(20-12-13-3-2-8-19-11-13)14-6-9-22(10-7-14)16-5-1-4-15(21-16)18(24)25/h1-5,8,11,14H,6-7,9-10,12H2,(H,20,23)(H,24,25)
InChIKeyYJDDHGPZDKEAEO-UHFFFAOYSA-N
XLogP1.71
TPSA95.42 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-phenylpyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 30866618
1-N-benzyl-4-N-(pyridin-3-ylmethyl)cyclohexane-1,4-dicarboxamide
CID 109147891
1-benzyl-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 3404052
N-(pyridin-3-ylmethyl)-1-(2,3,5,6-tetrafluoro-4-pyridinyl)piperidine-4-carboxamide
CID 133371811
1-(6-anilinopyridazin-3-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 117084317
1-(6-phenylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 90518966
4-N-benzyl-1-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 86911861
6-(pyridin-3-ylmethylcarbamoyl)pyridine-2-carboxylic acid
CID 43558442
N-(pyridin-3-ylmethyl)cyclopentanecarboxamide
CID 595870
N-(pyridin-3-ylmethyl)cyclobutanecarboxamide
CID 25236359
4-N-(pyridin-3-ylmethyl)piperidine-1,4-dicarboxamide
CID 71166492
1-(6-methyl-2-pyridin-3-ylpyrimidin-4-yl)-N-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 133276362

Frequently Asked Questions

What is the IUPAC name of 6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid?
The IUPAC name of 6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid (CID 122053589) is 6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid.
What is the SMILES notation for 6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid?
The canonical SMILES for 6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid is O=C(O)c1cccc(N2CCC(C(=O)NCc3cccnc3)CC2)n1.
What is the InChIKey of 6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid?
The InChIKey is YJDDHGPZDKEAEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c23-17(20-12-13-3-2-8-19-11-13)14-6-9-22(10-7-14)16-5-1-4-15(21-16)18(24)25/h1-5,8,11,14H,6-7,9-10,12H2,(H,20,23)(H,24,25).
What are the key properties of 6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid?
6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid has a molecular weight of 340.38 g/mol, XLogP of 1.71, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(pyridin-3-ylmethylcarbamoyl)piperidin-1-yl]pyridine-2-carboxylic acid is sourced from PubChem (CID 122053589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).