(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-cyclopentylpropan-2-yl propanoate;3-fluorophenol

C26H35FN2O7 — CID 145114691

IUPAC(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-cyclopentylpropan-2-yl propanoate;3-fluorophenol
SMILESCCC(=O)OC(C)CC1CCCC1.COc1ccnc(C(N)=O)c1OC(C)=O.Oc1cccc(F)c1
InChIInChI=1S/C11H20O2.C9H10N2O4.C6H5FO/c1-3-11(12)13-9(2)8-10-6-4-5-7-10;1-5(12)15-8-6(14-2)3-4-11-7(8)9(10)13;7-5-2-1-3-6(8)4-5/h9-10H,3-8H2,1-2H3;3-4H,1-2H3,(H2,10,13);1-4,8H
InChIKeyHHZKBSOAZCMSIC-UHFFFAOYSA-N
MW506.57 g/mol
LogP4.55
Rot. Bonds7

About (2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-cyclopentylpropan-2-yl propanoate;3-fluorophenol

(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-cyclopentylpropan-2-yl propanoate;3-fluorophenol (PubChem CID 145114691) has the molecular formula C26H35FN2O7 and a molecular weight of 506.57 g/mol. Its IUPAC name is (2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-cyclopentylpropan-2-yl propanoate;3-fluorophenol.

Molecular Properties

Compound Name(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-cyclopentylpropan-2-yl propanoate;3-fluorophenol
PubChem CID145114691
Molecular FormulaC26H35FN2O7
Molecular Weight506.57 g/mol
Exact Mass506.24
IUPAC Name(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-cyclopentylpropan-2-yl propanoate;3-fluorophenol
SMILESCCC(=O)OC(C)CC1CCCC1.COc1ccnc(C(N)=O)c1OC(C)=O.Oc1cccc(F)c1
InChIInChI=1S/C11H20O2.C9H10N2O4.C6H5FO/c1-3-11(12)13-9(2)8-10-6-4-5-7-10;1-5(12)15-8-6(14-2)3-4-11-7(8)9(10)13;7-5-2-1-3-6(8)4-5/h9-10H,3-8H2,1-2H3;3-4H,1-2H3,(H2,10,13);1-4,8H
InChIKeyHHZKBSOAZCMSIC-UHFFFAOYSA-N
XLogP4.55
TPSA138.04 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.57
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of (2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-cyclopentylpropan-2-yl propanoate;3-fluorophenol?
The IUPAC name of (2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-cyclopentylpropan-2-yl propanoate;3-fluorophenol (CID 145114691) is (2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-cyclopentylpropan-2-yl propanoate;3-fluorophenol.
What is the SMILES notation for (2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-cyclopentylpropan-2-yl propanoate;3-fluorophenol?
The canonical SMILES for (2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-cyclopentylpropan-2-yl propanoate;3-fluorophenol is CCC(=O)OC(C)CC1CCCC1.COc1ccnc(C(N)=O)c1OC(C)=O.Oc1cccc(F)c1.
What is the InChIKey of (2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-cyclopentylpropan-2-yl propanoate;3-fluorophenol?
The InChIKey is HHZKBSOAZCMSIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2.C9H10N2O4.C6H5FO/c1-3-11(12)13-9(2)8-10-6-4-5-7-10;1-5(12)15-8-6(14-2)3-4-11-7(8)9(10)13;7-5-2-1-3-6(8)4-5/h9-10H,3-8H2,1-2H3;3-4H,1-2H3,(H2,10,13);1-4,8H.
What are the key properties of (2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-cyclopentylpropan-2-yl propanoate;3-fluorophenol?
(2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-cyclopentylpropan-2-yl propanoate;3-fluorophenol has a molecular weight of 506.57 g/mol, XLogP of 4.55, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2-carbamoyl-4-methoxy-3-pyridinyl) acetate;1-cyclopentylpropan-2-yl propanoate;3-fluorophenol is sourced from PubChem (CID 145114691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).