N-[2-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]amino]-2-oxoethyl]cyclopropanecarboxamide

C18H19N5O4 — CID 90426519

IUPACN-[2-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)CNC(=O)C3CC3)nc2)ccn1
InChIInChI=1S/C18H19N5O4/c1-11(24)22-16-8-13(6-7-19-16)27-14-4-5-15(20-9-14)23-17(25)10-21-18(26)12-2-3-12/h4-9,12H,2-3,10H2,1H3,(H,21,26)(H,19,22,24)(H,20,23,25)
InChIKeyIQFNHJIDZDAIIH-UHFFFAOYSA-N
MW369.38 g/mol
LogP1.69
Rot. Bonds7

About N-[2-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]amino]-2-oxoethyl]cyclopropanecarboxamide

N-[2-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]amino]-2-oxoethyl]cyclopropanecarboxamide (PubChem CID 90426519) has the molecular formula C18H19N5O4 and a molecular weight of 369.38 g/mol. Its IUPAC name is N-[2-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]amino]-2-oxoethyl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[2-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]amino]-2-oxoethyl]cyclopropanecarboxamide
PubChem CID90426519
Molecular FormulaC18H19N5O4
Molecular Weight369.38 g/mol
Exact Mass369.14
IUPAC NameN-[2-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]amino]-2-oxoethyl]cyclopropanecarboxamide
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)CNC(=O)C3CC3)nc2)ccn1
InChIInChI=1S/C18H19N5O4/c1-11(24)22-16-8-13(6-7-19-16)27-14-4-5-15(20-9-14)23-17(25)10-21-18(26)12-2-3-12/h4-9,12H,2-3,10H2,1H3,(H,21,26)(H,19,22,24)(H,20,23,25)
InChIKeyIQFNHJIDZDAIIH-UHFFFAOYSA-N
XLogP1.69
TPSA122.31 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 51.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]amino]-2-oxoethyl]cyclopropanecarboxamide?
The IUPAC name of N-[2-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]amino]-2-oxoethyl]cyclopropanecarboxamide (CID 90426519) is N-[2-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]amino]-2-oxoethyl]cyclopropanecarboxamide.
What is the SMILES notation for N-[2-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]amino]-2-oxoethyl]cyclopropanecarboxamide?
The canonical SMILES for N-[2-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]amino]-2-oxoethyl]cyclopropanecarboxamide is CC(=O)Nc1cc(Oc2ccc(NC(=O)CNC(=O)C3CC3)nc2)ccn1.
What is the InChIKey of N-[2-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]amino]-2-oxoethyl]cyclopropanecarboxamide?
The InChIKey is IQFNHJIDZDAIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O4/c1-11(24)22-16-8-13(6-7-19-16)27-14-4-5-15(20-9-14)23-17(25)10-21-18(26)12-2-3-12/h4-9,12H,2-3,10H2,1H3,(H,21,26)(H,19,22,24)(H,20,23,25).
What are the key properties of N-[2-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]amino]-2-oxoethyl]cyclopropanecarboxamide?
N-[2-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]amino]-2-oxoethyl]cyclopropanecarboxamide has a molecular weight of 369.38 g/mol, XLogP of 1.69, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]amino]-2-oxoethyl]cyclopropanecarboxamide is sourced from PubChem (CID 90426519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).