2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-N-pyridin-2-ylacetamide

C16H13F2N5O — CID 133367596

IUPAC2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-N-pyridin-2-ylacetamide
SMILESO=C(CNc1nc(C(F)F)nc2ccccc12)Nc1ccccn1
InChIInChI=1S/C16H13F2N5O/c17-14(18)16-21-11-6-2-1-5-10(11)15(23-16)20-9-13(24)22-12-7-3-4-8-19-12/h1-8,14H,9H2,(H,19,22,24)(H,20,21,23)
InChIKeyYLNMIRQPEMUGCG-UHFFFAOYSA-N
MW329.31 g/mol
LogP3.01
Rot. Bonds5

About 2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-N-pyridin-2-ylacetamide

2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-N-pyridin-2-ylacetamide (PubChem CID 133367596) has the molecular formula C16H13F2N5O and a molecular weight of 329.31 g/mol. Its IUPAC name is 2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-N-pyridin-2-ylacetamide.

Molecular Properties

Compound Name2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-N-pyridin-2-ylacetamide
PubChem CID133367596
Molecular FormulaC16H13F2N5O
Molecular Weight329.31 g/mol
Exact Mass329.11
IUPAC Name2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-N-pyridin-2-ylacetamide
SMILESO=C(CNc1nc(C(F)F)nc2ccccc12)Nc1ccccn1
InChIInChI=1S/C16H13F2N5O/c17-14(18)16-21-11-6-2-1-5-10(11)15(23-16)20-9-13(24)22-12-7-3-4-8-19-12/h1-8,14H,9H2,(H,19,22,24)(H,20,21,23)
InChIKeyYLNMIRQPEMUGCG-UHFFFAOYSA-N
XLogP3.01
TPSA79.80 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.31
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-N-pyridin-2-ylacetamide?
The IUPAC name of 2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-N-pyridin-2-ylacetamide (CID 133367596) is 2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-N-pyridin-2-ylacetamide.
What is the SMILES notation for 2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-N-pyridin-2-ylacetamide?
The canonical SMILES for 2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-N-pyridin-2-ylacetamide is O=C(CNc1nc(C(F)F)nc2ccccc12)Nc1ccccn1.
What is the InChIKey of 2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-N-pyridin-2-ylacetamide?
The InChIKey is YLNMIRQPEMUGCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13F2N5O/c17-14(18)16-21-11-6-2-1-5-10(11)15(23-16)20-9-13(24)22-12-7-3-4-8-19-12/h1-8,14H,9H2,(H,19,22,24)(H,20,21,23).
What are the key properties of 2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-N-pyridin-2-ylacetamide?
2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-N-pyridin-2-ylacetamide has a molecular weight of 329.31 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(difluoromethyl)quinazolin-4-yl]amino]-N-pyridin-2-ylacetamide is sourced from PubChem (CID 133367596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).