N-[[5-[[2-(ethylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide

C19H20F3N5O3 — CID 123605279

IUPACN-[[5-[[2-(ethylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCCNc1cc(Oc2ccc(NC(=O)NC(=O)C3(C(F)(F)F)CCC3)nc2)ccn1
InChIInChI=1S/C19H20F3N5O3/c1-2-23-15-10-12(6-9-24-15)30-13-4-5-14(25-11-13)26-17(29)27-16(28)18(7-3-8-18)19(20,21)22/h4-6,9-11H,2-3,7-8H2,1H3,(H,23,24)(H2,25,26,27,28,29)
InChIKeyBBOSQJAUTRNNKR-UHFFFAOYSA-N
MW423.40 g/mol
LogP4.08
Rot. Bonds6

About N-[[5-[[2-(ethylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide

N-[[5-[[2-(ethylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide (PubChem CID 123605279) has the molecular formula C19H20F3N5O3 and a molecular weight of 423.40 g/mol. Its IUPAC name is N-[[5-[[2-(ethylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide.

Molecular Properties

Compound NameN-[[5-[[2-(ethylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
PubChem CID123605279
Molecular FormulaC19H20F3N5O3
Molecular Weight423.40 g/mol
Exact Mass423.15
IUPAC NameN-[[5-[[2-(ethylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide
SMILESCCNc1cc(Oc2ccc(NC(=O)NC(=O)C3(C(F)(F)F)CCC3)nc2)ccn1
InChIInChI=1S/C19H20F3N5O3/c1-2-23-15-10-12(6-9-24-15)30-13-4-5-14(25-11-13)26-17(29)27-16(28)18(7-3-8-18)19(20,21)22/h4-6,9-11H,2-3,7-8H2,1H3,(H,23,24)(H2,25,26,27,28,29)
InChIKeyBBOSQJAUTRNNKR-UHFFFAOYSA-N
XLogP4.08
TPSA105.24 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.40
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-[[2-(ethylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The IUPAC name of N-[[5-[[2-(ethylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide (CID 123605279) is N-[[5-[[2-(ethylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide.
What is the SMILES notation for N-[[5-[[2-(ethylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The canonical SMILES for N-[[5-[[2-(ethylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide is CCNc1cc(Oc2ccc(NC(=O)NC(=O)C3(C(F)(F)F)CCC3)nc2)ccn1.
What is the InChIKey of N-[[5-[[2-(ethylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?
The InChIKey is BBOSQJAUTRNNKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F3N5O3/c1-2-23-15-10-12(6-9-24-15)30-13-4-5-14(25-11-13)26-17(29)27-16(28)18(7-3-8-18)19(20,21)22/h4-6,9-11H,2-3,7-8H2,1H3,(H,23,24)(H2,25,26,27,28,29).
What are the key properties of N-[[5-[[2-(ethylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide?
N-[[5-[[2-(ethylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide has a molecular weight of 423.40 g/mol, XLogP of 4.08, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[[2-(ethylamino)-4-pyridinyl]oxy]-2-pyridinyl]carbamoyl]-1-(trifluoromethyl)cyclobutane-1-carboxamide is sourced from PubChem (CID 123605279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).