bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[[4-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]phenyl]carbamoyl]acetamide

C23H23N5O4 — CID 23153233

IUPACbicyclo[3.1.0]hexa-1(6),2,4-triene;N-[[4-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]phenyl]carbamoyl]acetamide
SMILESCC(=O)NC(=O)Nc1ccc(Oc2ccnc(NC(=O)N(C)C)c2)cc1.c1cc2cc-2c1
InChIInChI=1S/C17H19N5O4.C6H4/c1-11(23)19-16(24)20-12-4-6-13(7-5-12)26-14-8-9-18-15(10-14)21-17(25)22(2)3;1-2-5-4-6(5)3-1/h4-10H,1-3H3,(H,18,21,25)(H2,19,20,23,24);1-4H
InChIKeyCCRZWEYCGYRLSQ-UHFFFAOYSA-N
MW433.47 g/mol
LogP4.30
Rot. Bonds4

About bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[[4-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]phenyl]carbamoyl]acetamide

bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[[4-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]phenyl]carbamoyl]acetamide (PubChem CID 23153233) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[[4-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]phenyl]carbamoyl]acetamide.

Molecular Properties

Compound Namebicyclo[3.1.0]hexa-1(6),2,4-triene;N-[[4-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]phenyl]carbamoyl]acetamide
PubChem CID23153233
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Namebicyclo[3.1.0]hexa-1(6),2,4-triene;N-[[4-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]phenyl]carbamoyl]acetamide
SMILESCC(=O)NC(=O)Nc1ccc(Oc2ccnc(NC(=O)N(C)C)c2)cc1.c1cc2cc-2c1
InChIInChI=1S/C17H19N5O4.C6H4/c1-11(23)19-16(24)20-12-4-6-13(7-5-12)26-14-8-9-18-15(10-14)21-17(25)22(2)3;1-2-5-4-6(5)3-1/h4-10H,1-3H3,(H,18,21,25)(H2,19,20,23,24);1-4H
InChIKeyCCRZWEYCGYRLSQ-UHFFFAOYSA-N
XLogP4.30
TPSA112.66 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 54.30
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[[4-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]phenyl]carbamoyl]acetamide?
The IUPAC name of bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[[4-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]phenyl]carbamoyl]acetamide (CID 23153233) is bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[[4-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]phenyl]carbamoyl]acetamide.
What is the SMILES notation for bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[[4-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]phenyl]carbamoyl]acetamide?
The canonical SMILES for bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[[4-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]phenyl]carbamoyl]acetamide is CC(=O)NC(=O)Nc1ccc(Oc2ccnc(NC(=O)N(C)C)c2)cc1.c1cc2cc-2c1.
What is the InChIKey of bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[[4-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]phenyl]carbamoyl]acetamide?
The InChIKey is CCRZWEYCGYRLSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O4.C6H4/c1-11(23)19-16(24)20-12-4-6-13(7-5-12)26-14-8-9-18-15(10-14)21-17(25)22(2)3;1-2-5-4-6(5)3-1/h4-10H,1-3H3,(H,18,21,25)(H2,19,20,23,24);1-4H.
What are the key properties of bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[[4-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]phenyl]carbamoyl]acetamide?
bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[[4-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]phenyl]carbamoyl]acetamide has a molecular weight of 433.47 g/mol, XLogP of 4.30, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for bicyclo[3.1.0]hexa-1(6),2,4-triene;N-[[4-[[2-(dimethylcarbamoylamino)-4-pyridinyl]oxy]phenyl]carbamoyl]acetamide is sourced from PubChem (CID 23153233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).