N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]oxolane-3-carboxamide

C18H19N5O5 — CID 86272978

IUPACN-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]oxolane-3-carboxamide
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)NC(=O)C3CCOC3)nc2)ccn1
InChIInChI=1S/C18H19N5O5/c1-11(24)21-16-8-13(4-6-19-16)28-14-2-3-15(20-9-14)22-18(26)23-17(25)12-5-7-27-10-12/h2-4,6,8-9,12H,5,7,10H2,1H3,(H,19,21,24)(H2,20,22,23,25,26)
InChIKeyRBINGCVAMLKWRI-UHFFFAOYSA-N
MW385.38 g/mol
LogP1.91
Rot. Bonds5

About N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]oxolane-3-carboxamide

N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]oxolane-3-carboxamide (PubChem CID 86272978) has the molecular formula C18H19N5O5 and a molecular weight of 385.38 g/mol. Its IUPAC name is N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]oxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]oxolane-3-carboxamide
PubChem CID86272978
Molecular FormulaC18H19N5O5
Molecular Weight385.38 g/mol
Exact Mass385.14
IUPAC NameN-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]oxolane-3-carboxamide
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)NC(=O)C3CCOC3)nc2)ccn1
InChIInChI=1S/C18H19N5O5/c1-11(24)21-16-8-13(4-6-19-16)28-14-2-3-15(20-9-14)22-18(26)23-17(25)12-5-7-27-10-12/h2-4,6,8-9,12H,5,7,10H2,1H3,(H,19,21,24)(H2,20,22,23,25,26)
InChIKeyRBINGCVAMLKWRI-UHFFFAOYSA-N
XLogP1.91
TPSA131.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 51.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]oxolane-3-carboxamide?
The IUPAC name of N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]oxolane-3-carboxamide (CID 86272978) is N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]oxolane-3-carboxamide.
What is the SMILES notation for N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]oxolane-3-carboxamide?
The canonical SMILES for N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]oxolane-3-carboxamide is CC(=O)Nc1cc(Oc2ccc(NC(=O)NC(=O)C3CCOC3)nc2)ccn1.
What is the InChIKey of N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]oxolane-3-carboxamide?
The InChIKey is RBINGCVAMLKWRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O5/c1-11(24)21-16-8-13(4-6-19-16)28-14-2-3-15(20-9-14)22-18(26)23-17(25)12-5-7-27-10-12/h2-4,6,8-9,12H,5,7,10H2,1H3,(H,19,21,24)(H2,20,22,23,25,26).
What are the key properties of N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]oxolane-3-carboxamide?
N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]oxolane-3-carboxamide has a molecular weight of 385.38 g/mol, XLogP of 1.91, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]oxolane-3-carboxamide is sourced from PubChem (CID 86272978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).