amino-[5-[1-methoxy-1-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]azanidylcarbonyl-2-pyridinyl]azanide

C19H22N6O4-2 — CID 11973420

IUPACamino-[5-[1-methoxy-1-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]azanidylcarbonyl-2-pyridinyl]azanide
SMILESCOC(=O)C(CCCCNC(=O)c1cccnc1)[N-]C(=O)c1ccc([N-]N)nc1
InChIInChI=1S/C19H24N6O4/c1-29-19(28)15(24-18(27)14-7-8-16(25-20)23-12-14)6-2-3-10-22-17(26)13-5-4-9-21-11-13/h4-5,7-9,11-12,15H,2-3,6,10,20H2,1H3,(H3,22,23,24,25,26,27)/p-2
InChIKeyLYYPDMNOXFABSW-UHFFFAOYSA-L
MW398.42 g/mol
LogP2.01
Rot. Bonds10

About amino-[5-[1-methoxy-1-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]azanidylcarbonyl-2-pyridinyl]azanide

amino-[5-[1-methoxy-1-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]azanidylcarbonyl-2-pyridinyl]azanide (PubChem CID 11973420) has the molecular formula C19H22N6O4-2 and a molecular weight of 398.42 g/mol. Its IUPAC name is amino-[5-[1-methoxy-1-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]azanidylcarbonyl-2-pyridinyl]azanide.

Molecular Properties

Compound Nameamino-[5-[1-methoxy-1-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]azanidylcarbonyl-2-pyridinyl]azanide
PubChem CID11973420
Molecular FormulaC19H22N6O4-2
Molecular Weight398.42 g/mol
Exact Mass398.17
IUPAC Nameamino-[5-[1-methoxy-1-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]azanidylcarbonyl-2-pyridinyl]azanide
SMILESCOC(=O)C(CCCCNC(=O)c1cccnc1)[N-]C(=O)c1ccc([N-]N)nc1
InChIInChI=1S/C19H24N6O4/c1-29-19(28)15(24-18(27)14-7-8-16(25-20)23-12-14)6-2-3-10-22-17(26)13-5-4-9-21-11-13/h4-5,7-9,11-12,15H,2-3,6,10,20H2,1H3,(H3,22,23,24,25,26,27)/p-2
InChIKeyLYYPDMNOXFABSW-UHFFFAOYSA-L
XLogP2.01
TPSA152.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of amino-[5-[1-methoxy-1-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]azanidylcarbonyl-2-pyridinyl]azanide?
The IUPAC name of amino-[5-[1-methoxy-1-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]azanidylcarbonyl-2-pyridinyl]azanide (CID 11973420) is amino-[5-[1-methoxy-1-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]azanidylcarbonyl-2-pyridinyl]azanide.
What is the SMILES notation for amino-[5-[1-methoxy-1-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]azanidylcarbonyl-2-pyridinyl]azanide?
The canonical SMILES for amino-[5-[1-methoxy-1-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]azanidylcarbonyl-2-pyridinyl]azanide is COC(=O)C(CCCCNC(=O)c1cccnc1)[N-]C(=O)c1ccc([N-]N)nc1.
What is the InChIKey of amino-[5-[1-methoxy-1-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]azanidylcarbonyl-2-pyridinyl]azanide?
The InChIKey is LYYPDMNOXFABSW-UHFFFAOYSA-L. The full InChI is InChI=1S/C19H24N6O4/c1-29-19(28)15(24-18(27)14-7-8-16(25-20)23-12-14)6-2-3-10-22-17(26)13-5-4-9-21-11-13/h4-5,7-9,11-12,15H,2-3,6,10,20H2,1H3,(H3,22,23,24,25,26,27)/p-2.
What are the key properties of amino-[5-[1-methoxy-1-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]azanidylcarbonyl-2-pyridinyl]azanide?
amino-[5-[1-methoxy-1-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]azanidylcarbonyl-2-pyridinyl]azanide has a molecular weight of 398.42 g/mol, XLogP of 2.01, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for amino-[5-[1-methoxy-1-oxo-6-(pyridine-3-carbonylamino)hexan-2-yl]azanidylcarbonyl-2-pyridinyl]azanide is sourced from PubChem (CID 11973420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).