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4-(5-fluoro-3-pyridinyl)-5-methyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)pyrimidine-2-carboxamide

C20H17FN6O3 — CID 156842806

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-(5-fluoro-3-pyridinyl)-5-methyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)pyrimidine-2-carboxamide
SMILESCc1cnc(C(=O)NC2COc3cccnc3N(C)C2=O)nc1-c1cncc(F)c1
InChIInChI=1S/C20H17FN6O3/c1-11-7-24-17(26-16(11)12-6-13(21)9-22-8-12)19(28)25-14-10-30-15-4-3-5-23-18(15)27(2)20(14)29/h3-9,14H,10H2,1-2H3,(H,25,28)
InChIKeyDAXHCSZGPFYBJC-UHFFFAOYSA-N
MW408.39 g/mol
LogP1.53
Rot. Bonds3

About 4-(5-fluoro-3-pyridinyl)-5-methyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)pyrimidine-2-carboxamide

4-(5-fluoro-3-pyridinyl)-5-methyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)pyrimidine-2-carboxamide (PubChem CID 156842806) has the molecular formula C20H17FN6O3 and a molecular weight of 408.39 g/mol. Its IUPAC name is 4-(5-fluoro-3-pyridinyl)-5-methyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)pyrimidine-2-carboxamide.

Molecular Properties

Compound Name4-(5-fluoro-3-pyridinyl)-5-methyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)pyrimidine-2-carboxamide
PubChem CID156842806
Molecular FormulaC20H17FN6O3
Molecular Weight408.39 g/mol
Exact Mass408.13
IUPAC Name4-(5-fluoro-3-pyridinyl)-5-methyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)pyrimidine-2-carboxamide
SMILESCc1cnc(C(=O)NC2COc3cccnc3N(C)C2=O)nc1-c1cncc(F)c1
InChIInChI=1S/C20H17FN6O3/c1-11-7-24-17(26-16(11)12-6-13(21)9-22-8-12)19(28)25-14-10-30-15-4-3-5-23-18(15)27(2)20(14)29/h3-9,14H,10H2,1-2H3,(H,25,28)
InChIKeyDAXHCSZGPFYBJC-UHFFFAOYSA-N
XLogP1.53
TPSA110.20 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.39
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 4-(5-fluoro-3-pyridinyl)-5-methyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)pyrimidine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-3-pyridinyl)-5-methyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)pyrimidine-2-carboxamide?
The IUPAC name of 4-(5-fluoro-3-pyridinyl)-5-methyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)pyrimidine-2-carboxamide (CID 156842806) is 4-(5-fluoro-3-pyridinyl)-5-methyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)pyrimidine-2-carboxamide.
What is the SMILES notation for 4-(5-fluoro-3-pyridinyl)-5-methyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)pyrimidine-2-carboxamide?
The canonical SMILES for 4-(5-fluoro-3-pyridinyl)-5-methyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)pyrimidine-2-carboxamide is Cc1cnc(C(=O)NC2COc3cccnc3N(C)C2=O)nc1-c1cncc(F)c1.
What is the InChIKey of 4-(5-fluoro-3-pyridinyl)-5-methyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)pyrimidine-2-carboxamide?
The InChIKey is DAXHCSZGPFYBJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN6O3/c1-11-7-24-17(26-16(11)12-6-13(21)9-22-8-12)19(28)25-14-10-30-15-4-3-5-23-18(15)27(2)20(14)29/h3-9,14H,10H2,1-2H3,(H,25,28).
What are the key properties of 4-(5-fluoro-3-pyridinyl)-5-methyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)pyrimidine-2-carboxamide?
4-(5-fluoro-3-pyridinyl)-5-methyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)pyrimidine-2-carboxamide has a molecular weight of 408.39 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-3-pyridinyl)-5-methyl-N-(5-methyl-4-oxo-2,3-dihydropyrido[3,2-b][1,4]oxazepin-3-yl)pyrimidine-2-carboxamide is sourced from PubChem (CID 156842806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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