4-[5-amino-4-(pyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpiperazin-2-one;molecular hydrogen

C16H20N6O — CID 144529575

IUPAC4-[5-amino-4-(pyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpiperazin-2-one;molecular hydrogen
SMILES[H]/N=C(\c1ccccn1)c1cc(N2CCN(C)C(=O)C2)ncc1N.[H][H]
InChIInChI=1S/C16H18N6O.H2/c1-21-6-7-22(10-15(21)23)14-8-11(12(17)9-20-14)16(18)13-4-2-3-5-19-13;/h2-5,8-9,18H,6-7,10,17H2,1H3;1H/b18-16-;
InChIKeyUWIUNGUXYXTRJZ-FTUZMNKQSA-N
MW312.38 g/mol
LogP1.00
Rot. Bonds3

About 4-[5-amino-4-(pyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpiperazin-2-one;molecular hydrogen

4-[5-amino-4-(pyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpiperazin-2-one;molecular hydrogen (PubChem CID 144529575) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is 4-[5-amino-4-(pyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpiperazin-2-one;molecular hydrogen.

Molecular Properties

Compound Name4-[5-amino-4-(pyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpiperazin-2-one;molecular hydrogen
PubChem CID144529575
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name4-[5-amino-4-(pyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpiperazin-2-one;molecular hydrogen
SMILES[H]/N=C(\c1ccccn1)c1cc(N2CCN(C)C(=O)C2)ncc1N.[H][H]
InChIInChI=1S/C16H18N6O.H2/c1-21-6-7-22(10-15(21)23)14-8-11(12(17)9-20-14)16(18)13-4-2-3-5-19-13;/h2-5,8-9,18H,6-7,10,17H2,1H3;1H/b18-16-;
InChIKeyUWIUNGUXYXTRJZ-FTUZMNKQSA-N
XLogP1.00
TPSA99.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 4-[5-amino-4-(pyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpiperazin-2-one;molecular hydrogen with MolForge

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Related Compounds

methyl 5-amino-2-(4-methyl-3-oxopiperazin-1-yl)pyridine-4-carboxylate
CID 114090414
4-(6-aminopyrimidin-4-yl)-1-methylpiperazin-2-one
CID 80843839
1-methyl-4-(3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridin-5-yl)piperazin-2-one
CID 71253759
4-[5-amino-4-(6-piperazin-1-ylpyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpyridin-2-one
CID 89412749
4-[6-(5-amino-2-pyridin-3-ylpyridine-4-carboximidoyl)-2-pyridinyl]-1,4-diazepan-2-one
CID 89412732
4-[5-[(Z)-2-amino-1-(2-amino-4,5-dimethoxyphenyl)ethenyl]-2-pyridinyl]-1-methylpiperazin-2-one
CID 143530580
4-[6-[2-amino-5-(1-methylpyrazol-4-yl)benzenecarboximidoyl]pyrimidin-4-yl]piperazin-2-one
CID 144697097
4-(5-iodo-2-pyridinyl)-1-methylpiperazin-2-one
CID 135301834
5-chloro-2-(4-methyl-3-oxo-1,4-diazepan-1-yl)pyridine-4-carboxylic acid
CID 102889234
4-amino-3-[6-(4-methylpiperazin-1-yl)pyrimidine-4-carboximidoyl]phenol
CID 137229950
2-[4-[6-(5-amino-2-propan-2-yloxypyridine-4-carboximidoyl)pyrimidin-4-yl]piperazin-1-yl]ethanol
CID 139566251
4-[4-[2-amino-5-[7-methyl-7-(2-methylpyrrolidin-1-yl)-5,6,8,9-tetrahydrobenzo[7]annulen-3-yl]pyridine-3-carboximidoyl]phenyl]-1-methylpiperazin-2-one
CID 166137626

Frequently Asked Questions

What is the IUPAC name of 4-[5-amino-4-(pyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpiperazin-2-one;molecular hydrogen?
The IUPAC name of 4-[5-amino-4-(pyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpiperazin-2-one;molecular hydrogen (CID 144529575) is 4-[5-amino-4-(pyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpiperazin-2-one;molecular hydrogen.
What is the SMILES notation for 4-[5-amino-4-(pyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpiperazin-2-one;molecular hydrogen?
The canonical SMILES for 4-[5-amino-4-(pyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpiperazin-2-one;molecular hydrogen is [H]/N=C(\c1ccccn1)c1cc(N2CCN(C)C(=O)C2)ncc1N.[H][H].
What is the InChIKey of 4-[5-amino-4-(pyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpiperazin-2-one;molecular hydrogen?
The InChIKey is UWIUNGUXYXTRJZ-FTUZMNKQSA-N. The full InChI is InChI=1S/C16H18N6O.H2/c1-21-6-7-22(10-15(21)23)14-8-11(12(17)9-20-14)16(18)13-4-2-3-5-19-13;/h2-5,8-9,18H,6-7,10,17H2,1H3;1H/b18-16-;.
What are the key properties of 4-[5-amino-4-(pyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpiperazin-2-one;molecular hydrogen?
4-[5-amino-4-(pyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpiperazin-2-one;molecular hydrogen has a molecular weight of 312.38 g/mol, XLogP of 1.00, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-amino-4-(pyridine-2-carboximidoyl)-2-pyridinyl]-1-methylpiperazin-2-one;molecular hydrogen is sourced from PubChem (CID 144529575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).