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

C16H17N5O3 — CID 38940028

IUPAC2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1
InChIInChI=1S/C16H17N5O3/c1-24-16-12(3-2-6-18-16)15(23)20-11-4-5-13(19-9-11)21-8-7-17-14(22)10-21/h2-6,9H,7-8,10H2,1H3,(H,17,22)(H,20,23)
InChIKeyPLXLEEZYFWWMJB-UHFFFAOYSA-N
MW327.34 g/mol
LogP0.67
Rot. Bonds4

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

2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide (PubChem CID 38940028) has the molecular formula C16H17N5O3 and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
PubChem CID38940028
Molecular FormulaC16H17N5O3
Molecular Weight327.34 g/mol
Exact Mass327.13
IUPAC Name2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide
SMILESCOc1ncccc1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1
InChIInChI=1S/C16H17N5O3/c1-24-16-12(3-2-6-18-16)15(23)20-11-4-5-13(19-9-11)21-8-7-17-14(22)10-21/h2-6,9H,7-8,10H2,1H3,(H,17,22)(H,20,23)
InChIKeyPLXLEEZYFWWMJB-UHFFFAOYSA-N
XLogP0.67
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 50.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-2-carboxamide
CID 38941036
3-(2-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]but-2-enamide
CID 72685110
4-bromo-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38941033
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
2-(3-methoxyphenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 34599898
5-(4-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]-1H-pyrazole-4-carboxamide
CID 38940282
1-(3-bromophenyl)-2,5-dimethyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyrrole-3-carboxamide
CID 60544873
2-butylsulfanyl-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]acetamide
CID 38939794
4-(2-methylsulfanylimidazol-1-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 51117639
5-(2-fluorophenyl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]furan-2-carboxamide
CID 47029066
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]benzamide
CID 38940142

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide?
The IUPAC name of 2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide (CID 38940028) is 2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide.
What is the SMILES notation for 2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide?
The canonical SMILES for 2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide is COc1ncccc1C(=O)Nc1ccc(N2CCNC(=O)C2)nc1.
What is the InChIKey of 2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide?
The InChIKey is PLXLEEZYFWWMJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O3/c1-24-16-12(3-2-6-18-16)15(23)20-11-4-5-13(19-9-11)21-8-7-17-14(22)10-21/h2-6,9H,7-8,10H2,1H3,(H,17,22)(H,20,23).
What are the key properties of 2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide?
2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide has a molecular weight of 327.34 g/mol, XLogP of 0.67, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[6-(3-oxopiperazin-1-yl)-3-pyridinyl]pyridine-3-carboxamide is sourced from PubChem (CID 38940028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).