N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide

C15H15N5O2 — CID 38941036

IUPACN-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)c3ccccn3)cn2)CCN1
InChIInChI=1S/C15H15N5O2/c21-14-10-20(8-7-17-14)13-5-4-11(9-18-13)19-15(22)12-3-1-2-6-16-12/h1-6,9H,7-8,10H2,(H,17,21)(H,19,22)
InChIKeyVYDAKQYZMQYXTK-UHFFFAOYSA-N
MW297.32 g/mol
LogP0.67
Rot. Bonds3

About N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide

N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide (PubChem CID 38941036) has the molecular formula C15H15N5O2 and a molecular weight of 297.32 g/mol. Its IUPAC name is N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
PubChem CID38941036
Molecular FormulaC15H15N5O2
Molecular Weight297.32 g/mol
Exact Mass297.12
IUPAC NameN-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
SMILESO=C1CN(c2ccc(NC(=O)c3ccccn3)cn2)CCN1
InChIInChI=1S/C15H15N5O2/c21-14-10-20(8-7-17-14)13-5-4-11(9-18-13)19-15(22)12-3-1-2-6-16-12/h1-6,9H,7-8,10H2,(H,17,21)(H,19,22)
InChIKeyVYDAKQYZMQYXTK-UHFFFAOYSA-N
XLogP0.67
TPSA87.22 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.32
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38941033
2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
CID 38940028
3-iodo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38940951
4-bromo-2-chloro-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 60511463
5-(2-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 47029066
5-(4-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 38940282
3-(2-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]but-2-enamide
CID 72685110
1-benzyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrolidine-2-carboxamide
CID 60579425
2-(2-fluorophenyl)-5-methyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1,3-oxazole-4-carboxamide
CID 99696295
4-(2-methyl-1,3-thiazol-4-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrrole-2-carboxamide
CID 34592320
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-3-(propan-2-yloxymethyl)-1-benzofuran-2-carboxamide
CID 86982929
1-(3-bromophenyl)-2,5-dimethyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrole-3-carboxamide
CID 60544873

Frequently Asked Questions

What is the IUPAC name of N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide?
The IUPAC name of N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide (CID 38941036) is N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide?
The canonical SMILES for N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide is O=C1CN(c2ccc(NC(=O)c3ccccn3)cn2)CCN1.
What is the InChIKey of N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide?
The InChIKey is VYDAKQYZMQYXTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N5O2/c21-14-10-20(8-7-17-14)13-5-4-11(9-18-13)19-15(22)12-3-1-2-6-16-12/h1-6,9H,7-8,10H2,(H,17,21)(H,19,22).
What are the key properties of N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide?
N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide has a molecular weight of 297.32 g/mol, XLogP of 0.67, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide is sourced from PubChem (CID 38941036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).