(2R)-2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]butanediamide

C22H20FN5O4 — CID 57406786

IUPAC(2R)-2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]butanediamide
SMILESNC(=O)C[C@@H](NC(=O)Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(N)=O
InChIInChI=1S/C22H20FN5O4/c23-14-6-10-16(11-7-14)32-15-8-4-13(5-9-15)17-2-1-3-20(26-17)28-22(31)27-18(21(25)30)12-19(24)29/h1-11,18H,12H2,(H2,24,29)(H2,25,30)(H2,26,27,28,31)/t18-/m1/s1
InChIKeyVOZGZNVYXHOEQE-GOSISDBHSA-N
MW437.43 g/mol
LogP2.53
Rot. Bonds8

About (2R)-2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]butanediamide

(2R)-2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]butanediamide (PubChem CID 57406786) has the molecular formula C22H20FN5O4 and a molecular weight of 437.43 g/mol. Its IUPAC name is (2R)-2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]butanediamide.

Molecular Properties

Compound Name(2R)-2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]butanediamide
PubChem CID57406786
Molecular FormulaC22H20FN5O4
Molecular Weight437.43 g/mol
Exact Mass437.15
IUPAC Name(2R)-2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]butanediamide
SMILESNC(=O)C[C@@H](NC(=O)Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(N)=O
InChIInChI=1S/C22H20FN5O4/c23-14-6-10-16(11-7-14)32-15-8-4-13(5-9-15)17-2-1-3-20(26-17)28-22(31)27-18(21(25)30)12-19(24)29/h1-11,18H,12H2,(H2,24,29)(H2,25,30)(H2,26,27,28,31)/t18-/m1/s1
InChIKeyVOZGZNVYXHOEQE-GOSISDBHSA-N
XLogP2.53
TPSA149.43 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.43
LogP ≤ 52.53
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]butanediamide?
The IUPAC name of (2R)-2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]butanediamide (CID 57406786) is (2R)-2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]butanediamide.
What is the SMILES notation for (2R)-2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]butanediamide?
The canonical SMILES for (2R)-2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]butanediamide is NC(=O)C[C@@H](NC(=O)Nc1cccc(-c2ccc(Oc3ccc(F)cc3)cc2)n1)C(N)=O.
What is the InChIKey of (2R)-2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]butanediamide?
The InChIKey is VOZGZNVYXHOEQE-GOSISDBHSA-N. The full InChI is InChI=1S/C22H20FN5O4/c23-14-6-10-16(11-7-14)32-15-8-4-13(5-9-15)17-2-1-3-20(26-17)28-22(31)27-18(21(25)30)12-19(24)29/h1-11,18H,12H2,(H2,24,29)(H2,25,30)(H2,26,27,28,31)/t18-/m1/s1.
What are the key properties of (2R)-2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]butanediamide?
(2R)-2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]butanediamide has a molecular weight of 437.43 g/mol, XLogP of 2.53, 8 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[6-[4-(4-fluorophenoxy)phenyl]-2-pyridinyl]carbamoylamino]butanediamide is sourced from PubChem (CID 57406786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).