N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-(dimethylamino)pyridine-3-carboxamide

C18H25N5O4 — CID 134356479

IUPACN-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NC(CCCCN)C(=O)COc2ccon2)cn1
InChIInChI=1S/C18H25N5O4/c1-23(2)16-7-6-13(11-20-16)18(25)21-14(5-3-4-9-19)15(24)12-26-17-8-10-27-22-17/h6-8,10-11,14H,3-5,9,12,19H2,1-2H3,(H,21,25)
InChIKeyUTCCIHZPLJCNOY-UHFFFAOYSA-N
MW375.43 g/mol
LogP1.01
Rot. Bonds11

About N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-(dimethylamino)pyridine-3-carboxamide

N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-(dimethylamino)pyridine-3-carboxamide (PubChem CID 134356479) has the molecular formula C18H25N5O4 and a molecular weight of 375.43 g/mol. Its IUPAC name is N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-(dimethylamino)pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-(dimethylamino)pyridine-3-carboxamide
PubChem CID134356479
Molecular FormulaC18H25N5O4
Molecular Weight375.43 g/mol
Exact Mass375.19
IUPAC NameN-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-(dimethylamino)pyridine-3-carboxamide
SMILESCN(C)c1ccc(C(=O)NC(CCCCN)C(=O)COc2ccon2)cn1
InChIInChI=1S/C18H25N5O4/c1-23(2)16-7-6-13(11-20-16)18(25)21-14(5-3-4-9-19)15(24)12-26-17-8-10-27-22-17/h6-8,10-11,14H,3-5,9,12,19H2,1-2H3,(H,21,25)
InChIKeyUTCCIHZPLJCNOY-UHFFFAOYSA-N
XLogP1.01
TPSA123.58 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-(dimethylamino)pyridine-3-carboxamide?
The IUPAC name of N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-(dimethylamino)pyridine-3-carboxamide (CID 134356479) is N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-(dimethylamino)pyridine-3-carboxamide.
What is the SMILES notation for N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-(dimethylamino)pyridine-3-carboxamide?
The canonical SMILES for N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-(dimethylamino)pyridine-3-carboxamide is CN(C)c1ccc(C(=O)NC(CCCCN)C(=O)COc2ccon2)cn1.
What is the InChIKey of N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-(dimethylamino)pyridine-3-carboxamide?
The InChIKey is UTCCIHZPLJCNOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O4/c1-23(2)16-7-6-13(11-20-16)18(25)21-14(5-3-4-9-19)15(24)12-26-17-8-10-27-22-17/h6-8,10-11,14H,3-5,9,12,19H2,1-2H3,(H,21,25).
What are the key properties of N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-(dimethylamino)pyridine-3-carboxamide?
N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-(dimethylamino)pyridine-3-carboxamide has a molecular weight of 375.43 g/mol, XLogP of 1.01, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[7-amino-1-(1,2-oxazol-3-yloxy)-2-oxoheptan-3-yl]-6-(dimethylamino)pyridine-3-carboxamide is sourced from PubChem (CID 134356479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).