N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide

C20H23N5O5 — CID 86272520

IUPACN-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)NC(=O)CC3CCOCC3)nc2)ccn1
InChIInChI=1S/C20H23N5O5/c1-13(26)23-18-11-15(4-7-21-18)30-16-2-3-17(22-12-16)24-20(28)25-19(27)10-14-5-8-29-9-6-14/h2-4,7,11-12,14H,5-6,8-10H2,1H3,(H,21,23,26)(H2,22,24,25,27,28)
InChIKeyVJEFABGHMFYHIV-UHFFFAOYSA-N
MW413.43 g/mol
LogP2.69
Rot. Bonds6

About N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide

N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide (PubChem CID 86272520) has the molecular formula C20H23N5O5 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide.

Molecular Properties

Compound NameN-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide
PubChem CID86272520
Molecular FormulaC20H23N5O5
Molecular Weight413.43 g/mol
Exact Mass413.17
IUPAC NameN-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide
SMILESCC(=O)Nc1cc(Oc2ccc(NC(=O)NC(=O)CC3CCOCC3)nc2)ccn1
InChIInChI=1S/C20H23N5O5/c1-13(26)23-18-11-15(4-7-21-18)30-16-2-3-17(22-12-16)24-20(28)25-19(27)10-14-5-8-29-9-6-14/h2-4,7,11-12,14H,5-6,8-10H2,1H3,(H,21,23,26)(H2,22,24,25,27,28)
InChIKeyVJEFABGHMFYHIV-UHFFFAOYSA-N
XLogP2.69
TPSA131.54 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 52.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide?
The IUPAC name of N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide (CID 86272520) is N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide.
What is the SMILES notation for N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide?
The canonical SMILES for N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide is CC(=O)Nc1cc(Oc2ccc(NC(=O)NC(=O)CC3CCOCC3)nc2)ccn1.
What is the InChIKey of N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide?
The InChIKey is VJEFABGHMFYHIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O5/c1-13(26)23-18-11-15(4-7-21-18)30-16-2-3-17(22-12-16)24-20(28)25-19(27)10-14-5-8-29-9-6-14/h2-4,7,11-12,14H,5-6,8-10H2,1H3,(H,21,23,26)(H2,22,24,25,27,28).
What are the key properties of N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide?
N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide has a molecular weight of 413.43 g/mol, XLogP of 2.69, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[(2-acetamido-4-pyridinyl)oxy]-2-pyridinyl]carbamoyl]-2-(oxan-4-yl)acetamide is sourced from PubChem (CID 86272520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).