2-[[6-(oxan-4-yloxy)pyrimidin-4-yl]amino]-N-pyridin-4-ylacetamide

C16H19N5O3 — CID 167966224

IUPAC2-[[6-(oxan-4-yloxy)pyrimidin-4-yl]amino]-N-pyridin-4-ylacetamide
SMILESO=C(CNc1cc(OC2CCOCC2)ncn1)Nc1ccncc1
InChIInChI=1S/C16H19N5O3/c22-15(21-12-1-5-17-6-2-12)10-18-14-9-16(20-11-19-14)24-13-3-7-23-8-4-13/h1-2,5-6,9,11,13H,3-4,7-8,10H2,(H,17,21,22)(H,18,19,20)
InChIKeyVLQJCQNGNPRQRF-UHFFFAOYSA-N
MW329.36 g/mol
LogP1.48
Rot. Bonds6

About 2-[[6-(oxan-4-yloxy)pyrimidin-4-yl]amino]-N-pyridin-4-ylacetamide

2-[[6-(oxan-4-yloxy)pyrimidin-4-yl]amino]-N-pyridin-4-ylacetamide (PubChem CID 167966224) has the molecular formula C16H19N5O3 and a molecular weight of 329.36 g/mol. Its IUPAC name is 2-[[6-(oxan-4-yloxy)pyrimidin-4-yl]amino]-N-pyridin-4-ylacetamide.

Molecular Properties

Compound Name2-[[6-(oxan-4-yloxy)pyrimidin-4-yl]amino]-N-pyridin-4-ylacetamide
PubChem CID167966224
Molecular FormulaC16H19N5O3
Molecular Weight329.36 g/mol
Exact Mass329.15
IUPAC Name2-[[6-(oxan-4-yloxy)pyrimidin-4-yl]amino]-N-pyridin-4-ylacetamide
SMILESO=C(CNc1cc(OC2CCOCC2)ncn1)Nc1ccncc1
InChIInChI=1S/C16H19N5O3/c22-15(21-12-1-5-17-6-2-12)10-18-14-9-16(20-11-19-14)24-13-3-7-23-8-4-13/h1-2,5-6,9,11,13H,3-4,7-8,10H2,(H,17,21,22)(H,18,19,20)
InChIKeyVLQJCQNGNPRQRF-UHFFFAOYSA-N
XLogP1.48
TPSA98.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[6-(oxan-4-yloxy)pyrimidin-4-yl]amino]-N-pyridin-4-ylacetamide 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 2-[[6-(oxan-4-yloxy)pyrimidin-4-yl]amino]-N-pyridin-4-ylacetamide?
The IUPAC name of 2-[[6-(oxan-4-yloxy)pyrimidin-4-yl]amino]-N-pyridin-4-ylacetamide (CID 167966224) is 2-[[6-(oxan-4-yloxy)pyrimidin-4-yl]amino]-N-pyridin-4-ylacetamide.
What is the SMILES notation for 2-[[6-(oxan-4-yloxy)pyrimidin-4-yl]amino]-N-pyridin-4-ylacetamide?
The canonical SMILES for 2-[[6-(oxan-4-yloxy)pyrimidin-4-yl]amino]-N-pyridin-4-ylacetamide is O=C(CNc1cc(OC2CCOCC2)ncn1)Nc1ccncc1.
What is the InChIKey of 2-[[6-(oxan-4-yloxy)pyrimidin-4-yl]amino]-N-pyridin-4-ylacetamide?
The InChIKey is VLQJCQNGNPRQRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O3/c22-15(21-12-1-5-17-6-2-12)10-18-14-9-16(20-11-19-14)24-13-3-7-23-8-4-13/h1-2,5-6,9,11,13H,3-4,7-8,10H2,(H,17,21,22)(H,18,19,20).
What are the key properties of 2-[[6-(oxan-4-yloxy)pyrimidin-4-yl]amino]-N-pyridin-4-ylacetamide?
2-[[6-(oxan-4-yloxy)pyrimidin-4-yl]amino]-N-pyridin-4-ylacetamide has a molecular weight of 329.36 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(oxan-4-yloxy)pyrimidin-4-yl]amino]-N-pyridin-4-ylacetamide is sourced from PubChem (CID 167966224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).